6-cyano-N-(3-methylcyclohexyl)pyridine-3-sulfonamide

C13H17N3O2S — CID 115602590

IUPAC6-cyano-N-(3-methylcyclohexyl)pyridine-3-sulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2ccc(C#N)nc2)C1
InChIInChI=1S/C13H17N3O2S/c1-10-3-2-4-11(7-10)16-19(17,18)13-6-5-12(8-14)15-9-13/h5-6,9-11,16H,2-4,7H2,1H3
InChIKeyNMXCRBRHUMGCQW-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.81
Rot. Bonds3

About 6-cyano-N-(3-methylcyclohexyl)pyridine-3-sulfonamide

6-cyano-N-(3-methylcyclohexyl)pyridine-3-sulfonamide (PubChem CID 115602590) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 6-cyano-N-(3-methylcyclohexyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(3-methylcyclohexyl)pyridine-3-sulfonamide
PubChem CID115602590
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name6-cyano-N-(3-methylcyclohexyl)pyridine-3-sulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2ccc(C#N)nc2)C1
InChIInChI=1S/C13H17N3O2S/c1-10-3-2-4-11(7-10)16-19(17,18)13-6-5-12(8-14)15-9-13/h5-6,9-11,16H,2-4,7H2,1H3
InChIKeyNMXCRBRHUMGCQW-UHFFFAOYSA-N
XLogP1.81
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyano-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
CID 103653105
6-cyano-N-cyclooctylpyridine-3-sulfonamide
CID 115602393
cis-(1R,3S)-3-[(6-cyano-3-pyridinyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321509
6-cyano-N-(1,2-dimethylpiperidin-4-yl)pyridine-3-sulfonamide
CID 115650598
6-cyano-N-(oxolan-3-yl)pyridine-3-sulfonamide
CID 113320215
6-cyano-N-(2,3-dimethylcyclopentyl)pyridine-3-sulfonamide
CID 114613875
6-cyano-N-(thiolan-3-yl)pyridine-3-sulfonamide
CID 103698000
N-(3-methylcyclohexyl)pyridine-3-sulfonamide
CID 47331340
6-cyano-N-[(2-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107418699
6-cyano-N-(cyclobutylmethyl)pyridine-3-sulfonamide
CID 115602600
6-cyano-N-(2-hydroxycycloheptyl)pyridine-3-sulfonamide
CID 114613918
5-cyano-N-(3-methylcyclohexyl)thiophene-2-sulfonamide
CID 106267297

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(3-methylcyclohexyl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(3-methylcyclohexyl)pyridine-3-sulfonamide (CID 115602590) is 6-cyano-N-(3-methylcyclohexyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(3-methylcyclohexyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(3-methylcyclohexyl)pyridine-3-sulfonamide is CC1CCCC(NS(=O)(=O)c2ccc(C#N)nc2)C1.
What is the InChIKey of 6-cyano-N-(3-methylcyclohexyl)pyridine-3-sulfonamide?
The InChIKey is NMXCRBRHUMGCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-10-3-2-4-11(7-10)16-19(17,18)13-6-5-12(8-14)15-9-13/h5-6,9-11,16H,2-4,7H2,1H3.
What are the key properties of 6-cyano-N-(3-methylcyclohexyl)pyridine-3-sulfonamide?
6-cyano-N-(3-methylcyclohexyl)pyridine-3-sulfonamide has a molecular weight of 279.37 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(3-methylcyclohexyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115602590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).