CAS RN: 1000958-59-7
N,N-dimethyl-4,4′-bipiperidine-1-sulfonamide(SALTDATA: FREE)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251101 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1000958-59-7
- Purity/Analytical Methods: >99.0%
1000958-59-7 / N,N-dimethyl-4-piperidin-4-ylpiperidine-1-sulfonamide
N,N-dimethyl-4,4'-bipiperidine-1-sulfonamide | 1000958-59-7 | N,N-Dimethyl-[4,4'-bipiperidine]-1-sulfonamide
Basic Information
CAS
1000958-59-7
Multi CAS
No
Molecular Formula
C12H25N3O2S
Molecular Weight
275.410000
Exact Mass
275.166748
SMILES
CN(C)S(=O)(=O)N1CCC(CC1)C2CCNCC2
InChI
InChI=1S/C12H25N3O2S/c1-14(2)18(16,17)15-9-5-12(6-10-15)11-3-7-13-8-4-11/h11-13H,3-10H2,1-2H3
InChIKey
JYTHYCMPNRDNOL-UHFFFAOYSA-N
Synonyms
N,N-dimethyl-4,4'-bipiperidine-1-sulfonamide
1000958-59-7
N,N-Dimethyl-[4,4'-bipiperidine]-1-sulfonamide
MFCD12027103
N,N-dimethyl-4-piperidin-4-ylpiperidine-1-sulfonamide
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.5
TPSA
52.65
LogP / Solubility
WLOGP
0.5
MLOGP
0.45
XLogP3
0.5
Consensus LogP
0.48
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-4.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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