2-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-3-sulfonamide

C14H19N3O2S — CID 106546512

IUPAC2-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-3-sulfonamide
SMILESCC1(CNS(=O)(=O)c2cccnc2C#N)CCCCC1
InChIInChI=1S/C14H19N3O2S/c1-14(7-3-2-4-8-14)11-17-20(18,19)13-6-5-9-16-12(13)10-15/h5-6,9,17H,2-4,7-8,11H2,1H3
InChIKeyNMHRHDNBCKFVAJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.20
Rot. Bonds4

About 2-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-3-sulfonamide

2-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-3-sulfonamide (PubChem CID 106546512) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-3-sulfonamide
PubChem CID106546512
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-3-sulfonamide
SMILESCC1(CNS(=O)(=O)c2cccnc2C#N)CCCCC1
InChIInChI=1S/C14H19N3O2S/c1-14(7-3-2-4-8-14)11-17-20(18,19)13-6-5-9-16-12(13)10-15/h5-6,9,17H,2-4,7-8,11H2,1H3
InChIKeyNMHRHDNBCKFVAJ-UHFFFAOYSA-N
XLogP2.20
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]pyridine-3-sulfonamide
CID 107270957
3-[(1-methylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 114094936
N-[(1-methylcyclopentyl)methyl]-2-(propylamino)pyridine-3-sulfonamide
CID 63830359
2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 106545352
2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 106546656
2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 106546835
2-cyano-N-pent-4-ynylpyridine-3-sulfonamide
CID 106546358
N-(2-amino-1-cyclohexylethyl)-2-cyanopyridine-3-sulfonamide
CID 106598645
2-cyano-N-(3-methyloxan-3-yl)pyridine-3-sulfonamide
CID 106546677
3-fluoro-N-[(1-methylcyclopentyl)methyl]pyridine-2-sulfonamide
CID 103300099
N-(3-amino-2,2-difluoropropyl)-2-cyanopyridine-3-sulfonamide
CID 106598697
2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 106545234

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-3-sulfonamide (CID 106546512) is 2-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-3-sulfonamide is CC1(CNS(=O)(=O)c2cccnc2C#N)CCCCC1.
What is the InChIKey of 2-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-3-sulfonamide?
The InChIKey is NMHRHDNBCKFVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-14(7-3-2-4-8-14)11-17-20(18,19)13-6-5-9-16-12(13)10-15/h5-6,9,17H,2-4,7-8,11H2,1H3.
What are the key properties of 2-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-3-sulfonamide?
2-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-3-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 106546512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).