1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine

C17H27NS — CID 65144146

IUPAC1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine
SMILESCCNC(CSC1CCCCC1)Cc1ccccc1
InChIInChI=1S/C17H27NS/c1-2-18-16(13-15-9-5-3-6-10-15)14-19-17-11-7-4-8-12-17/h3,5-6,9-10,16-18H,2,4,7-8,11-14H2,1H3
InChIKeyQRMBRPCPKVAPLG-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.27
Rot. Bonds7

About 1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine

1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine (PubChem CID 65144146) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine
PubChem CID65144146
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine
SMILESCCNC(CSC1CCCCC1)Cc1ccccc1
InChIInChI=1S/C17H27NS/c1-2-18-16(13-15-9-5-3-6-10-15)14-19-17-11-7-4-8-12-17/h3,5-6,9-10,16-18H,2,4,7-8,11-14H2,1H3
InChIKeyQRMBRPCPKVAPLG-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 65140515
1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine
CID 65144591
1-cyclopentylsulfanyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 65139316
1-cyclopentylsulfanyl-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 65140412
1-cyclohexylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114932112
1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine
CID 55188118
1-(3-bromo-4-fluorophenyl)-3-cyclohexylsulfanyl-N-ethylpropan-2-amine
CID 65143955
1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 107884779
1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine
CID 65139211
1-(1-benzothiophen-3-yl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 65138997
1-cyclopentylsulfanyl-N-ethylbutan-2-amine
CID 64628616
4-cyclopentyl-N-ethyl-1-phenylbutan-2-amine
CID 63526556

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine?
The IUPAC name of 1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine (CID 65144146) is 1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine.
What is the SMILES notation for 1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine?
The canonical SMILES for 1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine is CCNC(CSC1CCCCC1)Cc1ccccc1.
What is the InChIKey of 1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine?
The InChIKey is QRMBRPCPKVAPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-2-18-16(13-15-9-5-3-6-10-15)14-19-17-11-7-4-8-12-17/h3,5-6,9-10,16-18H,2,4,7-8,11-14H2,1H3.
What are the key properties of 1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine?
1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine has a molecular weight of 277.48 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine is sourced from PubChem (CID 65144146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).