CAS RN: 1185313-49-8
4-(3-hydroxypiperidin-1-yl)-N,N-diMethylbenzenesulfonaMide, 98+% C13H20N2O3S, MW: 284.37
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260524 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185313-49-8
- Purity/Analytical Methods: >99.0%
1185313-49-8 / 4-(3-hydroxypiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
4-(3-hydroxypiperidin-1-yl)-N,N-dimethylbenzenesulfonamide | DTXSID20671377 | AKOS010396059
Basic Information
CAS
1185313-49-8
Multi CAS
No
Molecular Formula
C13H20N2O3S
Molecular Weight
284.380000
Exact Mass
284.119464
SMILES
CN(C)S(=O)(=O)C1=CC=C(C=C1)N2CCCC(C2)O
InChI
InChI=1S/C13H20N2O3S/c1-14(2)19(17,18)13-7-5-11(6-8-13)15-9-3-4-12(16)10-15/h5-8,12,16H,3-4,9-10H2,1-2H3
InChIKey
DPXKACGRQGEQOZ-UHFFFAOYSA-N
Synonyms
4-(3-hydroxypiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
DTXSID20671377
AKOS010396059
4-(3-hydroxy-1-piperidyl)-N,N-dimethyl-benzenesulfonamide
4-(3-Hydroxypiperidin-1-yl)-N,N-dimethylbenzene-1-sulfonamide
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
74.77
TPSA
60.85
LogP / Solubility
WLOGP
0.9
MLOGP
0.8
XLogP3
1.1
Consensus LogP
0.93
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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