6-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]pyridine-3-carbonitrile

C13H17N3S — CID 96525974

IUPAC6-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]pyridine-3-carbonitrile
SMILESCCS[C@H]1CCC[C@@H]1Nc1ccc(C#N)cn1
InChIInChI=1S/C13H17N3S/c1-2-17-12-5-3-4-11(12)16-13-7-6-10(8-14)9-15-13/h6-7,9,11-12H,2-5H2,1H3,(H,15,16)/t11-,12-/m0/s1
InChIKeyYLLUQXOIBOYPCJ-RYUDHWBXSA-N
MW247.37 g/mol
LogP3.04
Rot. Bonds4

About 6-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]pyridine-3-carbonitrile

6-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]pyridine-3-carbonitrile (PubChem CID 96525974) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 6-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]pyridine-3-carbonitrile
PubChem CID96525974
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name6-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]pyridine-3-carbonitrile
SMILESCCS[C@H]1CCC[C@@H]1Nc1ccc(C#N)cn1
InChIInChI=1S/C13H17N3S/c1-2-17-12-5-3-4-11(12)16-13-7-6-10(8-14)9-15-13/h6-7,9,11-12H,2-5H2,1H3,(H,15,16)/t11-,12-/m0/s1
InChIKeyYLLUQXOIBOYPCJ-RYUDHWBXSA-N
XLogP3.04
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylsulfanylcyclopentyl)-5-(trifluoromethyl)pyridin-2-amine
CID 103804882
6-[(2-ethylsulfanylcyclopentyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103804893
4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide
CID 103727544
5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxamide
CID 114122049
6-[(2-ethylsulfanylcyclopentyl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133378451
6-[[(1S,3R)-3-methylcyclohexyl]amino]pyridine-3-carbonitrile
CID 93287060
6-[(2-aminocyclopropyl)amino]pyridine-3-carbonitrile
CID 43598833
2-[(5-cyano-2-pyridinyl)amino]cyclohexane-1-carboxamide
CID 133365711
N-(2-ethylsulfanylcyclopentyl)-5-methylpyrimidin-2-amine
CID 103858190
4-N-(2-ethylsulfanylcyclopentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 103725102
6-[(4-propylcyclohexyl)amino]pyridine-3-carbonitrile
CID 61371820
4-N-(2-ethylsulfanylcyclopentyl)pyrimidine-2,4,6-triamine
CID 114122138

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]pyridine-3-carbonitrile (CID 96525974) is 6-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]pyridine-3-carbonitrile is CCS[C@H]1CCC[C@@H]1Nc1ccc(C#N)cn1.
What is the InChIKey of 6-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]pyridine-3-carbonitrile?
The InChIKey is YLLUQXOIBOYPCJ-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H17N3S/c1-2-17-12-5-3-4-11(12)16-13-7-6-10(8-14)9-15-13/h6-7,9,11-12H,2-5H2,1H3,(H,15,16)/t11-,12-/m0/s1.
What are the key properties of 6-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]pyridine-3-carbonitrile?
6-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]pyridine-3-carbonitrile has a molecular weight of 247.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 96525974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).