2-(3-methylcyclohexyl)sulfanylpyridine-3-carbonitrile

C13H16N2S — CID 62721346

IUPAC2-(3-methylcyclohexyl)sulfanylpyridine-3-carbonitrile
SMILESCC1CCCC(Sc2ncccc2C#N)C1
InChIInChI=1S/C13H16N2S/c1-10-4-2-6-12(8-10)16-13-11(9-14)5-3-7-15-13/h3,5,7,10,12H,2,4,6,8H2,1H3
InChIKeyBEMPNEVKZAGZTC-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.62
Rot. Bonds2

About 2-(3-methylcyclohexyl)sulfanylpyridine-3-carbonitrile

2-(3-methylcyclohexyl)sulfanylpyridine-3-carbonitrile (PubChem CID 62721346) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)sulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)sulfanylpyridine-3-carbonitrile
PubChem CID62721346
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name2-(3-methylcyclohexyl)sulfanylpyridine-3-carbonitrile
SMILESCC1CCCC(Sc2ncccc2C#N)C1
InChIInChI=1S/C13H16N2S/c1-10-4-2-6-12(8-10)16-13-11(9-14)5-3-7-15-13/h3,5,7,10,12H,2,4,6,8H2,1H3
InChIKeyBEMPNEVKZAGZTC-UHFFFAOYSA-N
XLogP3.62
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(3-methylcyclohexyl)sulfanylpyridine-4-carbonitrile
CID 82813123
2-[(3S)-piperidin-3-yl]sulfanylpyridine-3-carbonitrile
CID 97165150
2-(3-methylcyclohexyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877541
2-[(3S)-pyrrolidin-3-yl]sulfanylpyridine-3-carbonitrile
CID 71643635
1-[2-(3-methylcyclohexyl)sulfanyl-3-pyridinyl]propan-2-amine
CID 114057632
2-(2-methyloxolan-3-yl)sulfanylpyridine-3-carbonitrile
CID 103846679
2-(3-methylcyclohexyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63538767
5-methyl-2-(3-methylcyclohexyl)sulfanylbenzonitrile
CID 114017354
5-chloro-2-(3-methylcyclohexyl)sulfanylbenzonitrile
CID 63538612
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322
2-cyclobutylsulfanylbenzonitrile
CID 117281596
2-(pyrrolidin-2-ylmethylsulfanyl)pyridine-3-carbonitrile
CID 71643645

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)sulfanylpyridine-3-carbonitrile?
The IUPAC name of 2-(3-methylcyclohexyl)sulfanylpyridine-3-carbonitrile (CID 62721346) is 2-(3-methylcyclohexyl)sulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-methylcyclohexyl)sulfanylpyridine-3-carbonitrile?
The canonical SMILES for 2-(3-methylcyclohexyl)sulfanylpyridine-3-carbonitrile is CC1CCCC(Sc2ncccc2C#N)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)sulfanylpyridine-3-carbonitrile?
The InChIKey is BEMPNEVKZAGZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10-4-2-6-12(8-10)16-13-11(9-14)5-3-7-15-13/h3,5,7,10,12H,2,4,6,8H2,1H3.
What are the key properties of 2-(3-methylcyclohexyl)sulfanylpyridine-3-carbonitrile?
2-(3-methylcyclohexyl)sulfanylpyridine-3-carbonitrile has a molecular weight of 232.35 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)sulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 62721346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).