4-(3-methylbutyl)-N-[(3R)-6-oxopiperidin-3-yl]benzenesulfonamide

C16H24N2O3S — CID 95628967

IUPAC4-(3-methylbutyl)-N-[(3R)-6-oxopiperidin-3-yl]benzenesulfonamide
SMILESCC(C)CCc1ccc(S(=O)(=O)N[C@@H]2CCC(=O)NC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-12(2)3-4-13-5-8-15(9-6-13)22(20,21)18-14-7-10-16(19)17-11-14/h5-6,8-9,12,14,18H,3-4,7,10-11H2,1-2H3,(H,17,19)/t14-/m1/s1
InChIKeyKCAXUWGPXWDSBI-CQSZACIVSA-N
MW324.45 g/mol
LogP1.83
Rot. Bonds6

About 4-(3-methylbutyl)-N-[(3R)-6-oxopiperidin-3-yl]benzenesulfonamide

4-(3-methylbutyl)-N-[(3R)-6-oxopiperidin-3-yl]benzenesulfonamide (PubChem CID 95628967) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-(3-methylbutyl)-N-[(3R)-6-oxopiperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(3-methylbutyl)-N-[(3R)-6-oxopiperidin-3-yl]benzenesulfonamide
PubChem CID95628967
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name4-(3-methylbutyl)-N-[(3R)-6-oxopiperidin-3-yl]benzenesulfonamide
SMILESCC(C)CCc1ccc(S(=O)(=O)N[C@@H]2CCC(=O)NC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-12(2)3-4-13-5-8-15(9-6-13)22(20,21)18-14-7-10-16(19)17-11-14/h5-6,8-9,12,14,18H,3-4,7,10-11H2,1-2H3,(H,17,19)/t14-/m1/s1
InChIKeyKCAXUWGPXWDSBI-CQSZACIVSA-N
XLogP1.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3-methylbutyl)-N-[(3R)-6-oxopiperidin-3-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(methylamino)ethyl]-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 63662849
4-bromo-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 62490790
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylbutyl)benzenesulfonamide
CID 119968036
N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 63662802
3-(1-hydroxypropyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 63662505
N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
CID 19681069
N-(6-oxopiperidin-3-yl)naphthalene-1-sulfonamide
CID 115684185
3-N-(6-oxopiperidin-3-yl)benzene-1,3-disulfonamide
CID 62491456
6-hydrazinyl-N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 63661604
2-(methylamino)-N-(6-oxopiperidin-3-yl)pyridine-4-sulfonamide
CID 63661990
2-(aminomethyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 63661206
4-(2-methylpropyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964495

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)-N-[(3R)-6-oxopiperidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-(3-methylbutyl)-N-[(3R)-6-oxopiperidin-3-yl]benzenesulfonamide (CID 95628967) is 4-(3-methylbutyl)-N-[(3R)-6-oxopiperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-(3-methylbutyl)-N-[(3R)-6-oxopiperidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-(3-methylbutyl)-N-[(3R)-6-oxopiperidin-3-yl]benzenesulfonamide is CC(C)CCc1ccc(S(=O)(=O)N[C@@H]2CCC(=O)NC2)cc1.
What is the InChIKey of 4-(3-methylbutyl)-N-[(3R)-6-oxopiperidin-3-yl]benzenesulfonamide?
The InChIKey is KCAXUWGPXWDSBI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12(2)3-4-13-5-8-15(9-6-13)22(20,21)18-14-7-10-16(19)17-11-14/h5-6,8-9,12,14,18H,3-4,7,10-11H2,1-2H3,(H,17,19)/t14-/m1/s1.
What are the key properties of 4-(3-methylbutyl)-N-[(3R)-6-oxopiperidin-3-yl]benzenesulfonamide?
4-(3-methylbutyl)-N-[(3R)-6-oxopiperidin-3-yl]benzenesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)-N-[(3R)-6-oxopiperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 95628967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).