1-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carbonitrile

C16H26N2S — CID 79650149

IUPAC1-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carbonitrile
SMILESCC1CCCC(SC2CCC(C#N)(NC3CC3)C2)C1
InChIInChI=1S/C16H26N2S/c1-12-3-2-4-14(9-12)19-15-7-8-16(10-15,11-17)18-13-5-6-13/h12-15,18H,2-10H2,1H3
InChIKeyJYGFRWBMINNKHH-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.87
Rot. Bonds4

About 1-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carbonitrile

1-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carbonitrile (PubChem CID 79650149) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carbonitrile
PubChem CID79650149
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name1-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carbonitrile
SMILESCC1CCCC(SC2CCC(C#N)(NC3CC3)C2)C1
InChIInChI=1S/C16H26N2S/c1-12-3-2-4-14(9-12)19-15-7-8-16(10-15,11-17)18-13-5-6-13/h12-15,18H,2-10H2,1H3
InChIKeyJYGFRWBMINNKHH-UHFFFAOYSA-N
XLogP3.87
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-(3-methylcyclohexyl)oxycyclohexane-1-carbonitrile
CID 79625528
1-(cyclopropylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile
CID 79636467
1-(cyclopropylamino)-3-(2-methoxyethylsulfanyl)cyclohexane-1-carbonitrile
CID 79636237
2-[3-cyano-3-(cyclopropylamino)cyclopentyl]sulfanyl-N-ethylacetamide
CID 114234311
1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 79625352
3-cyclopentylsulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79636871
1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile
CID 64513094
[1-(methylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentyl]methanol
CID 79645546
1-(cyclopropylamino)cyclohexane-1-carbonitrile
CID 28702726
1-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexane-1-carbonitrile
CID 79625966
[1-amino-3-(3-methylcyclohexyl)sulfanylcyclohexyl]methanol
CID 79640996
1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carbonitrile
CID 79639135

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carbonitrile (CID 79650149) is 1-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carbonitrile is CC1CCCC(SC2CCC(C#N)(NC3CC3)C2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carbonitrile?
The InChIKey is JYGFRWBMINNKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-12-3-2-4-14(9-12)19-15-7-8-16(10-15,11-17)18-13-5-6-13/h12-15,18H,2-10H2,1H3.
What are the key properties of 1-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carbonitrile?
1-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carbonitrile has a molecular weight of 278.46 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carbonitrile is sourced from PubChem (CID 79650149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).