4-phenyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine

C17H27NO2S — CID 106727261

IUPAC4-phenyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
SMILESCCCS(=O)(=O)CCC1CC(c2ccccc2)CCC1N
InChIInChI=1S/C17H27NO2S/c1-2-11-21(19,20)12-10-16-13-15(8-9-17(16)18)14-6-4-3-5-7-14/h3-7,15-17H,2,8-13,18H2,1H3
InChIKeySTKIIQJFPKSLSQ-UHFFFAOYSA-N
MW309.47 g/mol
LogP3.11
Rot. Bonds6

About 4-phenyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine

4-phenyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine (PubChem CID 106727261) has the molecular formula C17H27NO2S and a molecular weight of 309.47 g/mol. Its IUPAC name is 4-phenyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-phenyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
PubChem CID106727261
Molecular FormulaC17H27NO2S
Molecular Weight309.47 g/mol
Exact Mass309.18
IUPAC Name4-phenyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
SMILESCCCS(=O)(=O)CCC1CC(c2ccccc2)CCC1N
InChIInChI=1S/C17H27NO2S/c1-2-11-21(19,20)12-10-16-13-15(8-9-17(16)18)14-6-4-3-5-7-14/h3-7,15-17H,2,8-13,18H2,1H3
InChIKeySTKIIQJFPKSLSQ-UHFFFAOYSA-N
XLogP3.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-2-(2-propylsulfonylethyl)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

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine?
The IUPAC name of 4-phenyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine (CID 106727261) is 4-phenyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-phenyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine?
The canonical SMILES for 4-phenyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine is CCCS(=O)(=O)CCC1CC(c2ccccc2)CCC1N.
What is the InChIKey of 4-phenyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine?
The InChIKey is STKIIQJFPKSLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-2-11-21(19,20)12-10-16-13-15(8-9-17(16)18)14-6-4-3-5-7-14/h3-7,15-17H,2,8-13,18H2,1H3.
What are the key properties of 4-phenyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine?
4-phenyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine has a molecular weight of 309.47 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine is sourced from PubChem (CID 106727261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).