3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexan-1-amine

C16H25NO2S — CID 43216334

IUPAC3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexan-1-amine
SMILESCC1CCCC(NC(C)c2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C16H25NO2S/c1-12-5-4-6-15(11-12)17-13(2)14-7-9-16(10-8-14)20(3,18)19/h7-10,12-13,15,17H,4-6,11H2,1-3H3
InChIKeyUJUWNYJPDNEJPZ-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.32
Rot. Bonds4

About 3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexan-1-amine

3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexan-1-amine (PubChem CID 43216334) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexan-1-amine
PubChem CID43216334
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexan-1-amine
SMILESCC1CCCC(NC(C)c2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C16H25NO2S/c1-12-5-4-6-15(11-12)17-13(2)14-7-9-16(10-8-14)20(3,18)19/h7-10,12-13,15,17H,4-6,11H2,1-3H3
InChIKeyUJUWNYJPDNEJPZ-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexan-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

N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexanamine
CID 43177189
N-[1-(4-iodophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43775452
N-[1-(4-bromophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43215999
3-methyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 12731669
3-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclopentan-1-amine
CID 103786848
2-[(3-methylcyclohexyl)amino]-1-(4-methylsulfonylphenyl)ethanol
CID 60899511
N-[1-(4-methylsulfonylphenyl)ethyl]oxan-4-amine
CID 43609832
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43317684
4-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 103911415
4-[1-(cyclohexylamino)ethyl]benzenesulfonamide
CID 43681895
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81351515
N-[1-(4-methylsulfonylphenyl)propyl]cyclopentanamine
CID 50982811

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexan-1-amine (CID 43216334) is 3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexan-1-amine is CC1CCCC(NC(C)c2ccc(S(C)(=O)=O)cc2)C1.
What is the InChIKey of 3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexan-1-amine?
The InChIKey is UJUWNYJPDNEJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-12-5-4-6-15(11-12)17-13(2)14-7-9-16(10-8-14)20(3,18)19/h7-10,12-13,15,17H,4-6,11H2,1-3H3.
What are the key properties of 3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexan-1-amine?
3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexan-1-amine has a molecular weight of 295.45 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 43216334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).