2-[(3-methylcyclohexyl)amino]-1-(4-methylsulfonylphenyl)ethanol

C16H25NO3S — CID 60899511

IUPAC2-[(3-methylcyclohexyl)amino]-1-(4-methylsulfonylphenyl)ethanol
SMILESCC1CCCC(NCC(O)c2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C16H25NO3S/c1-12-4-3-5-14(10-12)17-11-16(18)13-6-8-15(9-7-13)21(2,19)20/h6-9,12,14,16-18H,3-5,10-11H2,1-2H3
InChIKeyLVHXVNDYBZRQLP-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.29
Rot. Bonds5

About 2-[(3-methylcyclohexyl)amino]-1-(4-methylsulfonylphenyl)ethanol

2-[(3-methylcyclohexyl)amino]-1-(4-methylsulfonylphenyl)ethanol (PubChem CID 60899511) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-[(3-methylcyclohexyl)amino]-1-(4-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-[(3-methylcyclohexyl)amino]-1-(4-methylsulfonylphenyl)ethanol
PubChem CID60899511
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name2-[(3-methylcyclohexyl)amino]-1-(4-methylsulfonylphenyl)ethanol
SMILESCC1CCCC(NCC(O)c2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C16H25NO3S/c1-12-4-3-5-14(10-12)17-11-16(18)13-6-8-15(9-7-13)21(2,19)20/h6-9,12,14,16-18H,3-5,10-11H2,1-2H3
InChIKeyLVHXVNDYBZRQLP-UHFFFAOYSA-N
XLogP2.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3-methylcyclohexyl)amino]-1-(4-methylsulfonylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclobutylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 62414957
3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexan-1-amine
CID 43216334
2-[(3,5-dimethylcyclohexyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 64733261
cyclopentyl-(4-methylsulfonylphenyl)methanol
CID 115840633
2-[(3,5-dimethylcyclohexyl)amino]-1-(4-nitrophenyl)ethanol
CID 115338787
2-(4-methylpiperidin-2-yl)-1-(4-methylsulfonylphenyl)ethanol
CID 116685768
2-(3-ethylpentan-3-ylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 65039226
4-methyl-N-(4-methylsulfonylphenyl)cycloheptan-1-amine
CID 65081108
2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol
CID 62414370
2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60900441
(1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol
CID 39350104
N-[1-(4-methylsulfonylphenyl)propyl]cyclopentanamine
CID 50982811

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylcyclohexyl)amino]-1-(4-methylsulfonylphenyl)ethanol?
The IUPAC name of 2-[(3-methylcyclohexyl)amino]-1-(4-methylsulfonylphenyl)ethanol (CID 60899511) is 2-[(3-methylcyclohexyl)amino]-1-(4-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-[(3-methylcyclohexyl)amino]-1-(4-methylsulfonylphenyl)ethanol?
The canonical SMILES for 2-[(3-methylcyclohexyl)amino]-1-(4-methylsulfonylphenyl)ethanol is CC1CCCC(NCC(O)c2ccc(S(C)(=O)=O)cc2)C1.
What is the InChIKey of 2-[(3-methylcyclohexyl)amino]-1-(4-methylsulfonylphenyl)ethanol?
The InChIKey is LVHXVNDYBZRQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-12-4-3-5-14(10-12)17-11-16(18)13-6-8-15(9-7-13)21(2,19)20/h6-9,12,14,16-18H,3-5,10-11H2,1-2H3.
What are the key properties of 2-[(3-methylcyclohexyl)amino]-1-(4-methylsulfonylphenyl)ethanol?
2-[(3-methylcyclohexyl)amino]-1-(4-methylsulfonylphenyl)ethanol has a molecular weight of 311.45 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylcyclohexyl)amino]-1-(4-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 60899511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).