CAS RN: 1185307-41-8
4-(3-(hydroxyMethyl)piperidin-1-yl)-N,N-diMethylbenzenesulfonaMide, 98+% C14H22N2O3S, MW: 298.40
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260203 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185307-41-8
- Purity/Analytical Methods: >99.0%
1185307-41-8 / 4-[3-(hydroxymethyl)piperidin-1-yl]-N,N-dimethylbenzenesulfonamide
4-(3-(hydroxymethyl)piperidin-1-yl)-N,N-dimethylbenzenesulfonamide | 4-[3-(hydroxymethyl)piperidin-1-yl]-N,N-dimethylbenzenesulfonamide | DTXSID10671366
Basic Information
CAS
1185307-41-8
Multi CAS
No
Molecular Formula
C14H22N2O3S
Molecular Weight
298.400000
Exact Mass
298.135114
SMILES
CN(C)S(=O)(=O)C1=CC=C(C=C1)N2CCCC(C2)CO
InChI
InChI=1S/C14H22N2O3S/c1-15(2)20(18,19)14-7-5-13(6-8-14)16-9-3-4-12(10-16)11-17/h5-8,12,17H,3-4,9-11H2,1-2H3
InChIKey
UTGYMYJUEHIWPF-UHFFFAOYSA-N
Synonyms
4-(3-(hydroxymethyl)piperidin-1-yl)-N,N-dimethylbenzenesulfonamide
4-[3-(hydroxymethyl)piperidin-1-yl]-N,N-dimethylbenzenesulfonamide
DTXSID10671366
AKOS010386966
4-[3-(hydroxymethyl)-1-piperidyl]-N,N-dimethyl-benzenesulfonamide
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
79.34
TPSA
60.85
LogP / Solubility
WLOGP
1.15
MLOGP
1.02
XLogP3
1.3
Consensus LogP
1.16
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
![CAS 1185307-54-3 1-[1-(3-Chloro-phenyl)-ethyl]-piperazine hydrochloride molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1-[1-(3-Chloro-phenyl)-ethyl]-piperazine hydrochloride
- CAS RN: 1185307-54-3
- Product Code: starshine_CAS1185307-54-3
- Purity/Analytical method: >99.0%
-
(3-Nitro-pyridin-2-yl)-piperidin-3-yl-aMine hydrochloride, 98+% C10H15ClN4O2, MW: 258.70
- CAS RN: 1185307-69-0
- Product Code: starshine_CAS1185307-69-0
- Purity/Analytical method: >99.0%
-
1-(3-Chloro-quinoxalin-2-yl)-piperidin-3-ylaMine hydrochloride, 98+% C13H16Cl2N4, MW: 299.20
- CAS RN: 1185307-70-3
- Product Code: starshine_CAS1185307-70-3
- Purity/Analytical method: >99.0%
-
2-[(Piperidin-4-ylMethyl)-aMino]-nicotinonitrile hydrochloride, 98+% C12H17ClN4, MW: 252.74
- CAS RN: 1185307-76-9
- Product Code: starshine_CAS1185307-76-9
- Purity/Analytical method: >99.0%
-
N,N-dimethyl-4-(piperazin-1-yl)benzenesulfonamide hydrochloride
- CAS RN: 1185307-88-3
- Product Code: starshine_CAS1185307-88-3
- Purity/Analytical method: >99.0%
-
1-Pyridin-3-ylMethyl-piperidin-3-ol dihydrochloride, 98+% C11H18Cl2N2O, MW: 265.18
- CAS RN: 1185307-92-9
- Product Code: starshine_CAS1185307-92-9
- Purity/Analytical method: >99.0%
![CAS 1185307-54-3 1-[1-(3-Chloro-phenyl)-ethyl]-piperazine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185307-54-3.gif)
![CAS 1185307-76-9 2-[(Piperidin-4-ylMethyl)-aMino]-nicotinonitrile hydrochloride, 98+% C12H17ClN4, MW: 252.74 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185307-76-9.gif)
