3-cyclopentylsulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile

C15H26N2S — CID 79636871

IUPAC3-cyclopentylsulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
SMILESCC(C)NC1(C#N)CCCC(SC2CCCC2)C1
InChIInChI=1S/C15H26N2S/c1-12(2)17-15(11-16)9-5-8-14(10-15)18-13-6-3-4-7-13/h12-14,17H,3-10H2,1-2H3
InChIKeyJZYLOYLJHMHPPW-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.87
Rot. Bonds4

About 3-cyclopentylsulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile

3-cyclopentylsulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile (PubChem CID 79636871) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 3-cyclopentylsulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-cyclopentylsulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
PubChem CID79636871
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name3-cyclopentylsulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
SMILESCC(C)NC1(C#N)CCCC(SC2CCCC2)C1
InChIInChI=1S/C15H26N2S/c1-12(2)17-15(11-16)9-5-8-14(10-15)18-13-6-3-4-7-13/h12-14,17H,3-10H2,1-2H3
InChIKeyJZYLOYLJHMHPPW-UHFFFAOYSA-N
XLogP3.87
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(propan-2-ylamino)-3-propylsulfanylcyclohexane-1-carbonitrile
CID 79637084
3-methyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 43151562
3-(3-hydroxy-2-methylpropyl)sulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79636028
3-(3-hydroxybutan-2-ylsulfanyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 107771668
3-(2,5-dichlorophenyl)sulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79627261
3-(1-methyltetrazol-5-yl)sulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79636012
3-(3-methylbutylsulfanyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 107755118
3-(3-bromophenyl)sulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79636562
3-[cyclopentyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79624977
3-[(5-chloro-2-pyridinyl)sulfanyl]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79636334
3-[(3-methylphenyl)methylsulfanyl]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79628656
1-(cyclopropylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile
CID 79636467

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-cyclopentylsulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile (CID 79636871) is 3-cyclopentylsulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-cyclopentylsulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-cyclopentylsulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile is CC(C)NC1(C#N)CCCC(SC2CCCC2)C1.
What is the InChIKey of 3-cyclopentylsulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile?
The InChIKey is JZYLOYLJHMHPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-12(2)17-15(11-16)9-5-8-14(10-15)18-13-6-3-4-7-13/h12-14,17H,3-10H2,1-2H3.
What are the key properties of 3-cyclopentylsulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile?
3-cyclopentylsulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile has a molecular weight of 266.45 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 3-cyclopentylsulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79636871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).