2-cyano-N-(3,5-dimethylcyclohexyl)pyridine-3-sulfonamide

C14H19N3O2S — CID 106546280

IUPAC2-cyano-N-(3,5-dimethylcyclohexyl)pyridine-3-sulfonamide
SMILESCC1CC(C)CC(NS(=O)(=O)c2cccnc2C#N)C1
InChIInChI=1S/C14H19N3O2S/c1-10-6-11(2)8-12(7-10)17-20(18,19)14-4-3-5-16-13(14)9-15/h3-5,10-12,17H,6-8H2,1-2H3
InChIKeyQGSBPZLCFQIIMX-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.06
Rot. Bonds3

About 2-cyano-N-(3,5-dimethylcyclohexyl)pyridine-3-sulfonamide

2-cyano-N-(3,5-dimethylcyclohexyl)pyridine-3-sulfonamide (PubChem CID 106546280) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-cyano-N-(3,5-dimethylcyclohexyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-(3,5-dimethylcyclohexyl)pyridine-3-sulfonamide
PubChem CID106546280
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-cyano-N-(3,5-dimethylcyclohexyl)pyridine-3-sulfonamide
SMILESCC1CC(C)CC(NS(=O)(=O)c2cccnc2C#N)C1
InChIInChI=1S/C14H19N3O2S/c1-10-6-11(2)8-12(7-10)17-20(18,19)14-4-3-5-16-13(14)9-15/h3-5,10-12,17H,6-8H2,1-2H3
InChIKeyQGSBPZLCFQIIMX-UHFFFAOYSA-N
XLogP2.06
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(2-phenylcyclopropyl)pyridine-3-sulfonamide
CID 106545745
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-cyanopyridine-3-sulfonamide
CID 106596203
N-(5-azaspiro[3.5]nonan-8-yl)-2-cyanopyridine-3-sulfonamide
CID 106598352
N-(3,5-dimethylcyclohexyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103306280
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-cyanopyridine-3-sulfonamide
CID 106595449
2-cyano-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 106595467
2-cyano-N-(2,4,6-tribromophenyl)pyridine-3-sulfonamide
CID 106595571
2-cyano-N-ethoxypyridine-3-sulfonamide
CID 106593512
N-(4-bromo-2,6-dimethylphenyl)-2-cyanopyridine-3-sulfonamide
CID 106595530
N-(2-amino-1-cyclohexylethyl)-2-cyanopyridine-3-sulfonamide
CID 106598645
N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyanopyridine-3-sulfonamide
CID 106598642
4-cyano-N-(3-methylcyclobutyl)benzenesulfonamide
CID 115672192

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3,5-dimethylcyclohexyl)pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-(3,5-dimethylcyclohexyl)pyridine-3-sulfonamide (CID 106546280) is 2-cyano-N-(3,5-dimethylcyclohexyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-(3,5-dimethylcyclohexyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-(3,5-dimethylcyclohexyl)pyridine-3-sulfonamide is CC1CC(C)CC(NS(=O)(=O)c2cccnc2C#N)C1.
What is the InChIKey of 2-cyano-N-(3,5-dimethylcyclohexyl)pyridine-3-sulfonamide?
The InChIKey is QGSBPZLCFQIIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10-6-11(2)8-12(7-10)17-20(18,19)14-4-3-5-16-13(14)9-15/h3-5,10-12,17H,6-8H2,1-2H3.
What are the key properties of 2-cyano-N-(3,5-dimethylcyclohexyl)pyridine-3-sulfonamide?
2-cyano-N-(3,5-dimethylcyclohexyl)pyridine-3-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3,5-dimethylcyclohexyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106546280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).