4-cyclopentylsulfanyl-N-(3-methylcyclohexyl)aniline

C18H27NS — CID 43726303

IUPAC4-cyclopentylsulfanyl-N-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(Nc2ccc(SC3CCCC3)cc2)C1
InChIInChI=1S/C18H27NS/c1-14-5-4-6-16(13-14)19-15-9-11-18(12-10-15)20-17-7-2-3-8-17/h9-12,14,16-17,19H,2-8,13H2,1H3
InChIKeyCEMKIDMRFQEUGK-UHFFFAOYSA-N
MW289.49 g/mol
LogP5.71
Rot. Bonds4

About 4-cyclopentylsulfanyl-N-(3-methylcyclohexyl)aniline

4-cyclopentylsulfanyl-N-(3-methylcyclohexyl)aniline (PubChem CID 43726303) has the molecular formula C18H27NS and a molecular weight of 289.49 g/mol. Its IUPAC name is 4-cyclopentylsulfanyl-N-(3-methylcyclohexyl)aniline.

Molecular Properties

Compound Name4-cyclopentylsulfanyl-N-(3-methylcyclohexyl)aniline
PubChem CID43726303
Molecular FormulaC18H27NS
Molecular Weight289.49 g/mol
Exact Mass289.19
IUPAC Name4-cyclopentylsulfanyl-N-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(Nc2ccc(SC3CCCC3)cc2)C1
InChIInChI=1S/C18H27NS/c1-14-5-4-6-16(13-14)19-15-9-11-18(12-10-15)20-17-7-2-3-8-17/h9-12,14,16-17,19H,2-8,13H2,1H3
InChIKeyCEMKIDMRFQEUGK-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

N-(4-cyclopentylsulfanylphenyl)-4-methylcycloheptan-1-amine
CID 65079913
1-N-(4-cyclopentylsulfanylphenyl)cyclobutane-1,3-diamine
CID 80560491
4-N-(3-methylcyclohexyl)benzene-1,4-diamine
CID 43317797
4-fluoro-N-(3-methylcyclohexyl)aniline
CID 43097581
4-tert-butyl-N-(3-methylcyclohexyl)aniline
CID 43099749
4-cyclopentylsulfanyl-N-(2-methylcyclohexyl)aniline
CID 43726302
4-(3-methylcyclohexyl)sulfanylaniline
CID 62722234
N-(3-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193592
4-butyl-N-(3-methylcyclohexyl)aniline
CID 43103232
4-cyclopentyloxy-N-(3-methylcyclopentyl)aniline
CID 64500639
N-(3-methylcyclohexyl)-4-morpholin-4-ylaniline
CID 43100372
1-methyl-5-[(3-methylcyclohexyl)amino]pyridin-2-one
CID 60932533

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfanyl-N-(3-methylcyclohexyl)aniline?
The IUPAC name of 4-cyclopentylsulfanyl-N-(3-methylcyclohexyl)aniline (CID 43726303) is 4-cyclopentylsulfanyl-N-(3-methylcyclohexyl)aniline.
What is the SMILES notation for 4-cyclopentylsulfanyl-N-(3-methylcyclohexyl)aniline?
The canonical SMILES for 4-cyclopentylsulfanyl-N-(3-methylcyclohexyl)aniline is CC1CCCC(Nc2ccc(SC3CCCC3)cc2)C1.
What is the InChIKey of 4-cyclopentylsulfanyl-N-(3-methylcyclohexyl)aniline?
The InChIKey is CEMKIDMRFQEUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NS/c1-14-5-4-6-16(13-14)19-15-9-11-18(12-10-15)20-17-7-2-3-8-17/h9-12,14,16-17,19H,2-8,13H2,1H3.
What are the key properties of 4-cyclopentylsulfanyl-N-(3-methylcyclohexyl)aniline?
4-cyclopentylsulfanyl-N-(3-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-(3-methylcyclohexyl)aniline is sourced from PubChem (CID 43726303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).