3-methylsulfonyl-N-(1-phenylpropyl)cyclohexan-1-amine

C16H25NO2S — CID 79002828

IUPAC3-methylsulfonyl-N-(1-phenylpropyl)cyclohexan-1-amine
SMILESCCC(NC1CCCC(S(C)(=O)=O)C1)c1ccccc1
InChIInChI=1S/C16H25NO2S/c1-3-16(13-8-5-4-6-9-13)17-14-10-7-11-15(12-14)20(2,18)19/h4-6,8-9,14-17H,3,7,10-12H2,1-2H3
InChIKeyWPEOTPBUSISBPY-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.08
Rot. Bonds5

About 3-methylsulfonyl-N-(1-phenylpropyl)cyclohexan-1-amine

3-methylsulfonyl-N-(1-phenylpropyl)cyclohexan-1-amine (PubChem CID 79002828) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 3-methylsulfonyl-N-(1-phenylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methylsulfonyl-N-(1-phenylpropyl)cyclohexan-1-amine
PubChem CID79002828
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name3-methylsulfonyl-N-(1-phenylpropyl)cyclohexan-1-amine
SMILESCCC(NC1CCCC(S(C)(=O)=O)C1)c1ccccc1
InChIInChI=1S/C16H25NO2S/c1-3-16(13-8-5-4-6-9-13)17-14-10-7-11-15(12-14)20(2,18)19/h4-6,8-9,14-17H,3,7,10-12H2,1-2H3
InChIKeyWPEOTPBUSISBPY-UHFFFAOYSA-N
XLogP3.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methylsulfonyl-N-(1-phenylpropyl)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

3-methylsulfanyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 103784503
2-methylsulfonyl-N-(1-phenylpropyl)cyclopentan-1-amine
CID 65046271
(3S)-3-amino-N-[(1R,3R)-3-methylsulfonylcyclohexyl]-3-phenylpropanamide
CID 99776355
3-amino-N-(3-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 91645891
4-ethyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 55194080
N-[(1R)-1-(3-bromophenyl)ethyl]-3-methylsulfonylcyclohexan-1-amine
CID 81381403
N-[1-(4-methylsulfonylphenyl)propyl]cyclopentanamine
CID 50982811
1-(3-methylsulfonylcyclohexyl)-2-phenylethane-1,2-diol
CID 103459516
N-[(1R)-1-(furan-2-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine
CID 81399415
trans-(1R,3R)-N-(2-ethylbutyl)-3-methylsulfonylcyclohexan-1-amine
CID 97096018
N-(1-phenylpropyl)oxetan-3-amine
CID 63624948
tert-butyl N-[3-(1-phenylpropylamino)cyclopentyl]carbamate
CID 103719879

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-(1-phenylpropyl)cyclohexan-1-amine?
The IUPAC name of 3-methylsulfonyl-N-(1-phenylpropyl)cyclohexan-1-amine (CID 79002828) is 3-methylsulfonyl-N-(1-phenylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 3-methylsulfonyl-N-(1-phenylpropyl)cyclohexan-1-amine?
The canonical SMILES for 3-methylsulfonyl-N-(1-phenylpropyl)cyclohexan-1-amine is CCC(NC1CCCC(S(C)(=O)=O)C1)c1ccccc1.
What is the InChIKey of 3-methylsulfonyl-N-(1-phenylpropyl)cyclohexan-1-amine?
The InChIKey is WPEOTPBUSISBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-3-16(13-8-5-4-6-9-13)17-14-10-7-11-15(12-14)20(2,18)19/h4-6,8-9,14-17H,3,7,10-12H2,1-2H3.
What are the key properties of 3-methylsulfonyl-N-(1-phenylpropyl)cyclohexan-1-amine?
3-methylsulfonyl-N-(1-phenylpropyl)cyclohexan-1-amine has a molecular weight of 295.45 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-(1-phenylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 79002828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).