(3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide

C13H26N2O2S — CID 35431097

IUPAC(3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide
SMILESC[C@H]1CCCN(S(=O)(=O)NC2CCCCCC2)C1
InChIInChI=1S/C13H26N2O2S/c1-12-7-6-10-15(11-12)18(16,17)14-13-8-4-2-3-5-9-13/h12-14H,2-11H2,1H3/t12-/m0/s1
InChIKeyKLLZCUPWVZVKSS-LBPRGKRZSA-N
MW274.43 g/mol
LogP2.28
Rot. Bonds3

About (3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide

(3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide (PubChem CID 35431097) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is (3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide
PubChem CID35431097
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name(3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide
SMILESC[C@H]1CCCN(S(=O)(=O)NC2CCCCCC2)C1
InChIInChI=1S/C13H26N2O2S/c1-12-7-6-10-15(11-12)18(16,17)14-13-8-4-2-3-5-9-13/h12-14H,2-11H2,1H3/t12-/m0/s1
InChIKeyKLLZCUPWVZVKSS-LBPRGKRZSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide 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

N-cyclopropyl-3-methylpiperidine-1-sulfonamide
CID 60746010
N-cyclohexyl-4-methylpiperidine-1-sulfonamide
CID 60728637
cis-(1R,3S)-3-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 114173287
N-cycloheptylpiperidine-1-sulfonamide
CID 110705910
N-[2-(cycloheptylamino)ethyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 119987333
3-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-sulfonamide
CID 62491451
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
N-[2-(chloromethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide
CID 106367836
N-[2-(bromomethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide
CID 114179805
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
N-(5-azaspiro[3.5]nonan-8-yl)-3-methylpiperidine-1-sulfonamide
CID 43597934
(3R)-3-methyl-N-[(3R,4S)-3-methylpiperidin-4-yl]piperidine-1-sulfonamide
CID 129431135

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide?
The IUPAC name of (3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide (CID 35431097) is (3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for (3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for (3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide is C[C@H]1CCCN(S(=O)(=O)NC2CCCCCC2)C1.
What is the InChIKey of (3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide?
The InChIKey is KLLZCUPWVZVKSS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-12-7-6-10-15(11-12)18(16,17)14-13-8-4-2-3-5-9-13/h12-14H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide?
(3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide has a molecular weight of 274.43 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 35431097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).