3-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclohexan-1-ol

C14H20ClNO3S — CID 83170359

IUPAC3-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclohexan-1-ol
SMILESCS(=O)(=O)c1cccc(Cl)c1CNC1CCCC(O)C1
InChIInChI=1S/C14H20ClNO3S/c1-20(18,19)14-7-3-6-13(15)12(14)9-16-10-4-2-5-11(17)8-10/h3,6-7,10-11,16-17H,2,4-5,8-9H2,1H3
InChIKeyHILRHXWCPITPPZ-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.14
Rot. Bonds4

About 3-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclohexan-1-ol

3-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclohexan-1-ol (PubChem CID 83170359) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 3-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclohexan-1-ol
PubChem CID83170359
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name3-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclohexan-1-ol
SMILESCS(=O)(=O)c1cccc(Cl)c1CNC1CCCC(O)C1
InChIInChI=1S/C14H20ClNO3S/c1-20(18,19)14-7-3-6-13(15)12(14)9-16-10-4-2-5-11(17)8-10/h3,6-7,10-11,16-17H,2,4-5,8-9H2,1H3
InChIKeyHILRHXWCPITPPZ-UHFFFAOYSA-N
XLogP2.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclohexan-1-ol 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-[(2-chloro-6-methylsulfonylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 104589816
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 104589822
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(3-methylcyclohexyl)methanamine
CID 104589740
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-dicyclopropylethanamine
CID 83169561
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-dimethyloxan-4-amine
CID 83168460
(1S)-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopentylethanamine
CID 83170840
3-[(2,3-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 54983316
3-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-cyclopropylpropanamide
CID 83167961
2-bromo-N-[(2-chloro-6-methylsulfonylphenyl)methyl]prop-2-en-1-amine
CID 104589766
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(thiolan-2-yl)methanamine
CID 83170369
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-cyclopropylethanamine
CID 83169876
3-[(2-chloro-6-hydroxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 113277184

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 3-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclohexan-1-ol (CID 83170359) is 3-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 3-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 3-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclohexan-1-ol is CS(=O)(=O)c1cccc(Cl)c1CNC1CCCC(O)C1.
What is the InChIKey of 3-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclohexan-1-ol?
The InChIKey is HILRHXWCPITPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-20(18,19)14-7-3-6-13(15)12(14)9-16-10-4-2-5-11(17)8-10/h3,6-7,10-11,16-17H,2,4-5,8-9H2,1H3.
What are the key properties of 3-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclohexan-1-ol?
3-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclohexan-1-ol has a molecular weight of 317.84 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 83170359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).