2-methylsulfanyl-3-[(4-phenylcyclohexyl)amino]butan-1-ol

C17H27NOS — CID 103785112

IUPAC2-methylsulfanyl-3-[(4-phenylcyclohexyl)amino]butan-1-ol
SMILESCSC(CO)C(C)NC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H27NOS/c1-13(17(12-19)20-2)18-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-7,13,15-19H,8-12H2,1-2H3
InChIKeyFXSKNJMJNACKCH-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.41
Rot. Bonds6

About 2-methylsulfanyl-3-[(4-phenylcyclohexyl)amino]butan-1-ol

2-methylsulfanyl-3-[(4-phenylcyclohexyl)amino]butan-1-ol (PubChem CID 103785112) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-methylsulfanyl-3-[(4-phenylcyclohexyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-methylsulfanyl-3-[(4-phenylcyclohexyl)amino]butan-1-ol
PubChem CID103785112
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name2-methylsulfanyl-3-[(4-phenylcyclohexyl)amino]butan-1-ol
SMILESCSC(CO)C(C)NC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H27NOS/c1-13(17(12-19)20-2)18-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-7,13,15-19H,8-12H2,1-2H3
InChIKeyFXSKNJMJNACKCH-UHFFFAOYSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylsulfanylpropan-2-yl)-4-phenylcyclohexan-1-amine
CID 115721718
3-[[3-(3-methylphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol
CID 104530246
3-[[3-(2-methoxyphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol
CID 106158739
(2S)-2-[(3-phenylcyclobutyl)amino]propan-1-ol
CID 93252683
N-(1-ethylsulfonylpropan-2-yl)-4-phenylcyclohexan-1-amine
CID 115889867
N-(1-cyclohexylethyl)-4-phenylcyclohexan-1-amine
CID 43779146
3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol
CID 103785152
4-phenyl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine
CID 43081859
3-methyl-1-[(4-phenylcyclohexyl)amino]butan-2-ol
CID 115720405
N-ethyl-N-methyl-2-[(4-phenylcyclohexyl)amino]propanamide
CID 103107072
N-pent-1-yn-3-yl-4-phenylcyclohexan-1-amine
CID 106224805
3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol
CID 103785190

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-[(4-phenylcyclohexyl)amino]butan-1-ol?
The IUPAC name of 2-methylsulfanyl-3-[(4-phenylcyclohexyl)amino]butan-1-ol (CID 103785112) is 2-methylsulfanyl-3-[(4-phenylcyclohexyl)amino]butan-1-ol.
What is the SMILES notation for 2-methylsulfanyl-3-[(4-phenylcyclohexyl)amino]butan-1-ol?
The canonical SMILES for 2-methylsulfanyl-3-[(4-phenylcyclohexyl)amino]butan-1-ol is CSC(CO)C(C)NC1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-methylsulfanyl-3-[(4-phenylcyclohexyl)amino]butan-1-ol?
The InChIKey is FXSKNJMJNACKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-13(17(12-19)20-2)18-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-7,13,15-19H,8-12H2,1-2H3.
What are the key properties of 2-methylsulfanyl-3-[(4-phenylcyclohexyl)amino]butan-1-ol?
2-methylsulfanyl-3-[(4-phenylcyclohexyl)amino]butan-1-ol has a molecular weight of 293.48 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-[(4-phenylcyclohexyl)amino]butan-1-ol is sourced from PubChem (CID 103785112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).