2-(4-methoxyphenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine

C15H23NO3S — CID 64647537

IUPAC2-(4-methoxyphenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine
SMILESCNC1CCC(C)CC1S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO3S/c1-11-4-9-14(16-2)15(10-11)20(17,18)13-7-5-12(19-3)6-8-13/h5-8,11,14-16H,4,9-10H2,1-3H3
InChIKeyDKFBOMHYELFTJM-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.25
Rot. Bonds4

About 2-(4-methoxyphenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine

2-(4-methoxyphenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine (PubChem CID 64647537) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine
PubChem CID64647537
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2-(4-methoxyphenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine
SMILESCNC1CCC(C)CC1S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO3S/c1-11-4-9-14(16-2)15(10-11)20(17,18)13-7-5-12(19-3)6-8-13/h5-8,11,14-16H,4,9-10H2,1-3H3
InChIKeyDKFBOMHYELFTJM-UHFFFAOYSA-N
XLogP2.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxyphenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine 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-(4-methoxyphenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine
CID 64644759
N,4-dimethyl-2-(2-methylphenyl)sulfonylcyclohexan-1-amine
CID 64674992
2-(4-bromophenyl)sulfonyl-N-methyl-4-propylcyclohexan-1-amine
CID 64646653
2-(4-methoxyphenyl)sulfonylcyclohexane-1-carboxylic acid
CID 67614163
2-(4-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64638589
2-(4-fluorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64639422
2-(4-bromophenyl)sulfonyl-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 64645859
2-cyclohexylsulfonyl-N,4-dimethylcyclohexan-1-amine
CID 64673814
2-(4-methoxyphenyl)sulfonylcyclohexane-1-carbonitrile
CID 64691796
2-(benzenesulfonyl)-4-ethyl-N-methylcyclohexan-1-amine
CID 62917554
2-(benzenesulfonyl)-N-methylcyclooctan-1-amine
CID 62917384
N-methyl-2-(4-propan-2-ylphenyl)sulfonylcyclopentan-1-amine
CID 64639192

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(4-methoxyphenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine (CID 64647537) is 2-(4-methoxyphenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(4-methoxyphenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine is CNC1CCC(C)CC1S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine?
The InChIKey is DKFBOMHYELFTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-11-4-9-14(16-2)15(10-11)20(17,18)13-7-5-12(19-3)6-8-13/h5-8,11,14-16H,4,9-10H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine?
2-(4-methoxyphenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine has a molecular weight of 297.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64647537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).