[1-(methylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexyl]methanol

C16H25NOS — CID 79640204

IUPAC[1-(methylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexyl]methanol
SMILESCNC1(CO)CCCC(SCc2ccccc2C)C1
InChIInChI=1S/C16H25NOS/c1-13-6-3-4-7-14(13)11-19-15-8-5-9-16(10-15,12-18)17-2/h3-4,6-7,15,17-18H,5,8-12H2,1-2H3
InChIKeyOCMCRQBLVKDCIR-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.12
Rot. Bonds5

About [1-(methylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexyl]methanol

[1-(methylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexyl]methanol (PubChem CID 79640204) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is [1-(methylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(methylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexyl]methanol
PubChem CID79640204
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name[1-(methylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexyl]methanol
SMILESCNC1(CO)CCCC(SCc2ccccc2C)C1
InChIInChI=1S/C16H25NOS/c1-13-6-3-4-7-14(13)11-19-15-8-5-9-16(10-15,12-18)17-2/h3-4,6-7,15,17-18H,5,8-12H2,1-2H3
InChIKeyOCMCRQBLVKDCIR-UHFFFAOYSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexane-1-carbonitrile
CID 79636099
N-methyl-3-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine
CID 64722213
[1-[(2-methylphenyl)methylamino]cyclobutyl]methanol
CID 115733245
[3-(3-methoxypropylsulfanyl)-1-(methylamino)cyclohexyl]methanol
CID 79640677
1-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclopentane-1-carboxamide
CID 79653406
[1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclohexyl]methanol
CID 107764753
2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol;hydrochloride
CID 115673984
3-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine
CID 64722212
[3-cyclopentylsulfanyl-1-(methylamino)cyclopentyl]methanol
CID 79646566
[1-(methylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanol
CID 79640843
[1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol
CID 79640287
[3-(cyclopentylmethylsulfanyl)-1-(methylamino)cyclopentyl]methanol
CID 79644808

Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexyl]methanol?
The IUPAC name of [1-(methylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexyl]methanol (CID 79640204) is [1-(methylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexyl]methanol.
What is the SMILES notation for [1-(methylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexyl]methanol?
The canonical SMILES for [1-(methylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexyl]methanol is CNC1(CO)CCCC(SCc2ccccc2C)C1.
What is the InChIKey of [1-(methylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexyl]methanol?
The InChIKey is OCMCRQBLVKDCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-13-6-3-4-7-14(13)11-19-15-8-5-9-16(10-15,12-18)17-2/h3-4,6-7,15,17-18H,5,8-12H2,1-2H3.
What are the key properties of [1-(methylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexyl]methanol?
[1-(methylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexyl]methanol has a molecular weight of 279.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexyl]methanol is sourced from PubChem (CID 79640204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).