2-[methyl(2-phenylsulfanylethyl)amino]cyclohexan-1-ol

C15H23NOS — CID 102636673

IUPAC2-[methyl(2-phenylsulfanylethyl)amino]cyclohexan-1-ol
SMILESCN(CCSc1ccccc1)C1CCCCC1O
InChIInChI=1S/C15H23NOS/c1-16(14-9-5-6-10-15(14)17)11-12-18-13-7-3-2-4-8-13/h2-4,7-8,14-15,17H,5-6,9-12H2,1H3
InChIKeySQFXUDANYLECHX-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.01
Rot. Bonds5

About 2-[methyl(2-phenylsulfanylethyl)amino]cyclohexan-1-ol

2-[methyl(2-phenylsulfanylethyl)amino]cyclohexan-1-ol (PubChem CID 102636673) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-[methyl(2-phenylsulfanylethyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[methyl(2-phenylsulfanylethyl)amino]cyclohexan-1-ol
PubChem CID102636673
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name2-[methyl(2-phenylsulfanylethyl)amino]cyclohexan-1-ol
SMILESCN(CCSc1ccccc1)C1CCCCC1O
InChIInChI=1S/C15H23NOS/c1-16(14-9-5-6-10-15(14)17)11-12-18-13-7-3-2-4-8-13/h2-4,7-8,14-15,17H,5-6,9-12H2,1H3
InChIKeySQFXUDANYLECHX-UHFFFAOYSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-phenylsulfanylethyl)cyclohexanamine
CID 78962138
2-(2-phenylsulfanylethyl)cyclohexan-1-ol
CID 79228950
3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanoic acid
CID 102632745
trans-(1R,2R)-2-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol
CID 104954570
2-[3-(dimethylamino)propyl-methylamino]cyclohexan-1-ol
CID 63698872
trans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol
CID 102734361
trans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol
CID 10631575
N-cyclopentyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine
CID 118584812
3-[[(1S,2S)-2-hydroxycyclohexyl]-methylamino]propanenitrile
CID 102731792
2-[6-hydroxyhexyl(methyl)amino]cyclohexan-1-ol
CID 107704896
trans-(1R,2R)-2-[[(E)-benzylideneamino]-methylamino]cyclohexan-1-ol
CID 10421471
N-cyclohexyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine
CID 118584837

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-phenylsulfanylethyl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[methyl(2-phenylsulfanylethyl)amino]cyclohexan-1-ol (CID 102636673) is 2-[methyl(2-phenylsulfanylethyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[methyl(2-phenylsulfanylethyl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[methyl(2-phenylsulfanylethyl)amino]cyclohexan-1-ol is CN(CCSc1ccccc1)C1CCCCC1O.
What is the InChIKey of 2-[methyl(2-phenylsulfanylethyl)amino]cyclohexan-1-ol?
The InChIKey is SQFXUDANYLECHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-16(14-9-5-6-10-15(14)17)11-12-18-13-7-3-2-4-8-13/h2-4,7-8,14-15,17H,5-6,9-12H2,1H3.
What are the key properties of 2-[methyl(2-phenylsulfanylethyl)amino]cyclohexan-1-ol?
2-[methyl(2-phenylsulfanylethyl)amino]cyclohexan-1-ol has a molecular weight of 265.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-phenylsulfanylethyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 102636673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).