[4-[[(3-methylsulfonylcyclohexyl)amino]methyl]phenyl]methanol

C15H23NO3S — CID 107230919

IUPAC[4-[[(3-methylsulfonylcyclohexyl)amino]methyl]phenyl]methanol
SMILESCS(=O)(=O)C1CCCC(NCc2ccc(CO)cc2)C1
InChIInChI=1S/C15H23NO3S/c1-20(18,19)15-4-2-3-14(9-15)16-10-12-5-7-13(11-17)8-6-12/h5-8,14-17H,2-4,9-11H2,1H3
InChIKeyOOMPPCKFIKGJAF-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.62
Rot. Bonds5

About [4-[[(3-methylsulfonylcyclohexyl)amino]methyl]phenyl]methanol

[4-[[(3-methylsulfonylcyclohexyl)amino]methyl]phenyl]methanol (PubChem CID 107230919) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is [4-[[(3-methylsulfonylcyclohexyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(3-methylsulfonylcyclohexyl)amino]methyl]phenyl]methanol
PubChem CID107230919
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name[4-[[(3-methylsulfonylcyclohexyl)amino]methyl]phenyl]methanol
SMILESCS(=O)(=O)C1CCCC(NCc2ccc(CO)cc2)C1
InChIInChI=1S/C15H23NO3S/c1-20(18,19)15-4-2-3-14(9-15)16-10-12-5-7-13(11-17)8-6-12/h5-8,14-17H,2-4,9-11H2,1H3
InChIKeyOOMPPCKFIKGJAF-UHFFFAOYSA-N
XLogP1.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[[(3-methylsulfonylcyclohexyl)amino]methyl]phenyl]methanol 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

N-[(4-fluorophenyl)methyl]-3-methylsulfonylcyclohexan-1-amine
CID 79003256
[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]methanol
CID 114545663
trans-(1S,3S)-N-(1-benzothiophen-2-ylmethyl)-3-methylsulfonylcyclohexan-1-amine
CID 97224328
3-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 79002701
3-[(4-chlorophenyl)methylsulfonyl]-N-ethylcyclohexan-1-amine
CID 114792094
trans-(1R,3R)-N-(2-ethylbutyl)-3-methylsulfonylcyclohexan-1-amine
CID 97096018
[4-(cyclopentylsulfonylmethyl)phenyl]methanol
CID 110004765
3-[[(3-methylsulfonylcyclohexyl)amino]methyl]cyclopentan-1-ol
CID 114147362
cis-(1S,3R)-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylsulfonylcyclohexan-1-amine
CID 98220516
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylsulfonylcyclohexan-1-amine
CID 75425268
4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol
CID 107229822
2-[(3-methylsulfonylcyclohexyl)amino]ethyl carbamate
CID 83211078

Frequently Asked Questions

What is the IUPAC name of [4-[[(3-methylsulfonylcyclohexyl)amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[(3-methylsulfonylcyclohexyl)amino]methyl]phenyl]methanol (CID 107230919) is [4-[[(3-methylsulfonylcyclohexyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(3-methylsulfonylcyclohexyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(3-methylsulfonylcyclohexyl)amino]methyl]phenyl]methanol is CS(=O)(=O)C1CCCC(NCc2ccc(CO)cc2)C1.
What is the InChIKey of [4-[[(3-methylsulfonylcyclohexyl)amino]methyl]phenyl]methanol?
The InChIKey is OOMPPCKFIKGJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-20(18,19)15-4-2-3-14(9-15)16-10-12-5-7-13(11-17)8-6-12/h5-8,14-17H,2-4,9-11H2,1H3.
What are the key properties of [4-[[(3-methylsulfonylcyclohexyl)amino]methyl]phenyl]methanol?
[4-[[(3-methylsulfonylcyclohexyl)amino]methyl]phenyl]methanol has a molecular weight of 297.42 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3-methylsulfonylcyclohexyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 107230919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).