[4-ethyl-1-(2-phenylsulfanylethyl)cyclohexyl]methanamine

C17H27NS — CID 79224493

IUPAC[4-ethyl-1-(2-phenylsulfanylethyl)cyclohexyl]methanamine
SMILESCCC1CCC(CN)(CCSc2ccccc2)CC1
InChIInChI=1S/C17H27NS/c1-2-15-8-10-17(14-18,11-9-15)12-13-19-16-6-4-3-5-7-16/h3-7,15H,2,8-14,18H2,1H3
InChIKeyBIPHVIDIDBQSSJ-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.71
Rot. Bonds6

About [4-ethyl-1-(2-phenylsulfanylethyl)cyclohexyl]methanamine

[4-ethyl-1-(2-phenylsulfanylethyl)cyclohexyl]methanamine (PubChem CID 79224493) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is [4-ethyl-1-(2-phenylsulfanylethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-1-(2-phenylsulfanylethyl)cyclohexyl]methanamine
PubChem CID79224493
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name[4-ethyl-1-(2-phenylsulfanylethyl)cyclohexyl]methanamine
SMILESCCC1CCC(CN)(CCSc2ccccc2)CC1
InChIInChI=1S/C17H27NS/c1-2-15-8-10-17(14-18,11-9-15)12-13-19-16-6-4-3-5-7-16/h3-7,15H,2,8-14,18H2,1H3
InChIKeyBIPHVIDIDBQSSJ-UHFFFAOYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-Tert-butylphenyl)sulfanyl-2-(4-fluorophenyl)hexan-1-amine;hydrochloride
CID 45262874
1-cyclohexyl-N-fluoro-3-(2-prop-1-en-2-ylphenyl)sulfanylpropan-2-amine
CID 141922312
3-[5-(Cyclohexylmethylsulfanyl)-2-fluorophenyl]propan-1-amine
CID 143954764
c-[2,2-Dimethyl-3-(2-methyl-propenyl)-1-phenylsulfanyl-cyclopropyl]-methylamine
CID 129864090
(3R,4S)-1-phenyl-4-phenylsulfanylpentan-3-amine
CID 134967903
(3S,4R)-1-phenyl-4-phenylsulfanylpentan-3-amine
CID 162409026
[2-(2,4-Difluorophenyl)sulfanyl-4-propylcyclohexyl]methanamine
CID 43529894
[2-(2,4-Difluorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine
CID 43529895
[2-(2,4-Difluorophenyl)sulfanyl-4-methylcyclohexyl]methanamine
CID 43529896
[2-(2,4-Difluorophenyl)sulfanylcyclohexyl]methanamine
CID 43529898
[4-Tert-butyl-2-(2,4-difluorophenyl)sulfanylcyclohexyl]methanamine
CID 43529899
[2-(3,4-Difluorophenyl)sulfanyl-4-propylcyclohexyl]methanamine
CID 43529916

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-(2-phenylsulfanylethyl)cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-1-(2-phenylsulfanylethyl)cyclohexyl]methanamine (CID 79224493) is [4-ethyl-1-(2-phenylsulfanylethyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-1-(2-phenylsulfanylethyl)cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-1-(2-phenylsulfanylethyl)cyclohexyl]methanamine is CCC1CCC(CN)(CCSc2ccccc2)CC1.
What is the InChIKey of [4-ethyl-1-(2-phenylsulfanylethyl)cyclohexyl]methanamine?
The InChIKey is BIPHVIDIDBQSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-2-15-8-10-17(14-18,11-9-15)12-13-19-16-6-4-3-5-7-16/h3-7,15H,2,8-14,18H2,1H3.
What are the key properties of [4-ethyl-1-(2-phenylsulfanylethyl)cyclohexyl]methanamine?
[4-ethyl-1-(2-phenylsulfanylethyl)cyclohexyl]methanamine has a molecular weight of 277.48 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-(2-phenylsulfanylethyl)cyclohexyl]methanamine is sourced from PubChem (CID 79224493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).