6-[[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]amino]pyridine-2-carbonitrile

C14H19N3OS — CID 125130965

IUPAC6-[[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]amino]pyridine-2-carbonitrile
SMILESCC[S@](=O)[C@@H]1CCC[C@H](Nc2cccc(C#N)n2)C1
InChIInChI=1S/C14H19N3OS/c1-2-19(18)13-7-3-5-11(9-13)16-14-8-4-6-12(10-15)17-14/h4,6,8,11,13H,2-3,5,7,9H2,1H3,(H,16,17)/t11-,13+,19-/m0/s1
InChIKeyKVFMPZAPWARBMU-XAEJFWIOSA-N
MW277.39 g/mol
LogP2.44
Rot. Bonds4

About 6-[[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]amino]pyridine-2-carbonitrile

6-[[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]amino]pyridine-2-carbonitrile (PubChem CID 125130965) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 6-[[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]amino]pyridine-2-carbonitrile
PubChem CID125130965
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name6-[[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]amino]pyridine-2-carbonitrile
SMILESCC[S@](=O)[C@@H]1CCC[C@H](Nc2cccc(C#N)n2)C1
InChIInChI=1S/C14H19N3OS/c1-2-19(18)13-7-3-5-11(9-13)16-14-8-4-6-12(10-15)17-14/h4,6,8,11,13H,2-3,5,7,9H2,1H3,(H,16,17)/t11-,13+,19-/m0/s1
InChIKeyKVFMPZAPWARBMU-XAEJFWIOSA-N
XLogP2.44
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]amino]pyridine-2-carbonitrile with MolForge

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Related Compounds

N-(3-ethylsulfinylcyclohexyl)pyridin-2-amine
CID 133338221
2-tert-butyl-N-(3-ethylsulfinylcyclohexyl)pyrimidin-4-amine
CID 133336298
6-[(3-methylcyclopentyl)amino]pyridine-2-carbonitrile
CID 114546536
6-bromo-N-(3-ethylsulfinylcyclohexyl)quinolin-2-amine
CID 133338043
6-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-2-carbonitrile
CID 65471253
6-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carbonitrile
CID 79111014
N-(3-ethylsulfinylcyclohexyl)-2-methoxy-6-methylpyrimidin-4-amine
CID 136530984
N-(3-ethylsulfinylcyclohexyl)-5-methylpyrimidin-2-amine
CID 133403997
6-(piperidin-4-ylamino)pyridine-2-carbonitrile
CID 64589581
6-[[(1R,2R)-2-methylcyclopropyl]amino]pyridine-2-carbonitrile
CID 126987207
6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-2-carbonitrile
CID 103680905
N-(3-ethylsulfinylcyclohexyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133337979

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]amino]pyridine-2-carbonitrile (CID 125130965) is 6-[[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]amino]pyridine-2-carbonitrile is CC[S@](=O)[C@@H]1CCC[C@H](Nc2cccc(C#N)n2)C1.
What is the InChIKey of 6-[[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]amino]pyridine-2-carbonitrile?
The InChIKey is KVFMPZAPWARBMU-XAEJFWIOSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-2-19(18)13-7-3-5-11(9-13)16-14-8-4-6-12(10-15)17-14/h4,6,8,11,13H,2-3,5,7,9H2,1H3,(H,16,17)/t11-,13+,19-/m0/s1.
What are the key properties of 6-[[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]amino]pyridine-2-carbonitrile?
6-[[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]amino]pyridine-2-carbonitrile has a molecular weight of 277.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 125130965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).