4-cyclopentylsulfanyl-N-(2-methylcyclohexyl)aniline

C18H27NS — CID 43726302

IUPAC4-cyclopentylsulfanyl-N-(2-methylcyclohexyl)aniline
SMILESCC1CCCCC1Nc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C18H27NS/c1-14-6-2-5-9-18(14)19-15-10-12-17(13-11-15)20-16-7-3-4-8-16/h10-14,16,18-19H,2-9H2,1H3
InChIKeyLTNGNSXOIGXLBO-UHFFFAOYSA-N
MW289.49 g/mol
LogP5.71
Rot. Bonds4

About 4-cyclopentylsulfanyl-N-(2-methylcyclohexyl)aniline

4-cyclopentylsulfanyl-N-(2-methylcyclohexyl)aniline (PubChem CID 43726302) has the molecular formula C18H27NS and a molecular weight of 289.49 g/mol. Its IUPAC name is 4-cyclopentylsulfanyl-N-(2-methylcyclohexyl)aniline.

Molecular Properties

Compound Name4-cyclopentylsulfanyl-N-(2-methylcyclohexyl)aniline
PubChem CID43726302
Molecular FormulaC18H27NS
Molecular Weight289.49 g/mol
Exact Mass289.19
IUPAC Name4-cyclopentylsulfanyl-N-(2-methylcyclohexyl)aniline
SMILESCC1CCCCC1Nc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C18H27NS/c1-14-6-2-5-9-18(14)19-15-10-12-17(13-11-15)20-16-7-3-4-8-16/h10-14,16,18-19H,2-9H2,1H3
InChIKeyLTNGNSXOIGXLBO-UHFFFAOYSA-N
XLogP5.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.49
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopentylsulfanyl-N-(3-methylcyclohexyl)aniline
CID 43726303
N-(2-methylcyclohexyl)-4-phenylaniline
CID 43716847
4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
CID 96923123
4-[(2-methylcyclohexyl)amino]benzonitrile
CID 43178854
1-N-(4-cyclopentylsulfanylphenyl)cyclobutane-1,3-diamine
CID 80560491
N-(2-methylcyclohexyl)-4-nitroaniline
CID 43079076
N-(2-methylcyclopentyl)pyridin-4-amine
CID 63281266
4-cyclopentylsulfanyl-N-prop-2-ynylaniline
CID 63953079
4-N-(2-methylcyclohexyl)benzene-1,2,4-triamine
CID 106750255
N-(2-methylcyclohexyl)-3-methylsulfanylaniline
CID 43105027
N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193591
N-(4-cyclopentylsulfanylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102778093

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfanyl-N-(2-methylcyclohexyl)aniline?
The IUPAC name of 4-cyclopentylsulfanyl-N-(2-methylcyclohexyl)aniline (CID 43726302) is 4-cyclopentylsulfanyl-N-(2-methylcyclohexyl)aniline.
What is the SMILES notation for 4-cyclopentylsulfanyl-N-(2-methylcyclohexyl)aniline?
The canonical SMILES for 4-cyclopentylsulfanyl-N-(2-methylcyclohexyl)aniline is CC1CCCCC1Nc1ccc(SC2CCCC2)cc1.
What is the InChIKey of 4-cyclopentylsulfanyl-N-(2-methylcyclohexyl)aniline?
The InChIKey is LTNGNSXOIGXLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NS/c1-14-6-2-5-9-18(14)19-15-10-12-17(13-11-15)20-16-7-3-4-8-16/h10-14,16,18-19H,2-9H2,1H3.
What are the key properties of 4-cyclopentylsulfanyl-N-(2-methylcyclohexyl)aniline?
4-cyclopentylsulfanyl-N-(2-methylcyclohexyl)aniline has a molecular weight of 289.49 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfanyl-N-(2-methylcyclohexyl)aniline is sourced from PubChem (CID 43726302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).