3-(4-propylsulfonylphenoxy)cyclohexan-1-amine

C15H23NO3S — CID 79465015

IUPAC3-(4-propylsulfonylphenoxy)cyclohexan-1-amine
SMILESCCCS(=O)(=O)c1ccc(OC2CCCC(N)C2)cc1
InChIInChI=1S/C15H23NO3S/c1-2-10-20(17,18)15-8-6-13(7-9-15)19-14-5-3-4-12(16)11-14/h6-9,12,14H,2-5,10-11,16H2,1H3
InChIKeyNIXKOLMYNXICED-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.52
Rot. Bonds5

About 3-(4-propylsulfonylphenoxy)cyclohexan-1-amine

3-(4-propylsulfonylphenoxy)cyclohexan-1-amine (PubChem CID 79465015) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-(4-propylsulfonylphenoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(4-propylsulfonylphenoxy)cyclohexan-1-amine
PubChem CID79465015
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name3-(4-propylsulfonylphenoxy)cyclohexan-1-amine
SMILESCCCS(=O)(=O)c1ccc(OC2CCCC(N)C2)cc1
InChIInChI=1S/C15H23NO3S/c1-2-10-20(17,18)15-8-6-13(7-9-15)19-14-5-3-4-12(16)11-14/h6-9,12,14H,2-5,10-11,16H2,1H3
InChIKeyNIXKOLMYNXICED-UHFFFAOYSA-N
XLogP2.52
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-propylsulfonylphenoxy)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 3-(4-propylsulfonylphenoxy)cyclohexan-1-amine?
The IUPAC name of 3-(4-propylsulfonylphenoxy)cyclohexan-1-amine (CID 79465015) is 3-(4-propylsulfonylphenoxy)cyclohexan-1-amine.
What is the SMILES notation for 3-(4-propylsulfonylphenoxy)cyclohexan-1-amine?
The canonical SMILES for 3-(4-propylsulfonylphenoxy)cyclohexan-1-amine is CCCS(=O)(=O)c1ccc(OC2CCCC(N)C2)cc1.
What is the InChIKey of 3-(4-propylsulfonylphenoxy)cyclohexan-1-amine?
The InChIKey is NIXKOLMYNXICED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-2-10-20(17,18)15-8-6-13(7-9-15)19-14-5-3-4-12(16)11-14/h6-9,12,14H,2-5,10-11,16H2,1H3.
What are the key properties of 3-(4-propylsulfonylphenoxy)cyclohexan-1-amine?
3-(4-propylsulfonylphenoxy)cyclohexan-1-amine has a molecular weight of 297.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propylsulfonylphenoxy)cyclohexan-1-amine is sourced from PubChem (CID 79465015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).