1-(4-methylsulfonylphenyl)propan-2-amine

C10H15NO2S — CID 10890308

IUPAC1-(4-methylsulfonylphenyl)propan-2-amine
SMILESCC(N)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H15NO2S/c1-8(11)7-9-3-5-10(6-4-9)14(2,12)13/h3-6,8H,7,11H2,1-2H3
InChIKeyIHCJKFBOZVVXQM-UHFFFAOYSA-N
MW213.30 g/mol
LogP0.98
Rot. Bonds3

About 1-(4-methylsulfonylphenyl)propan-2-amine

1-(4-methylsulfonylphenyl)propan-2-amine (PubChem CID 10890308) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)propan-2-amine
PubChem CID10890308
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name1-(4-methylsulfonylphenyl)propan-2-amine
SMILESCC(N)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H15NO2S/c1-8(11)7-9-3-5-10(6-4-9)14(2,12)13/h3-6,8H,7,11H2,1-2H3
InChIKeyIHCJKFBOZVVXQM-UHFFFAOYSA-N
XLogP0.98
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylsulfonylphenyl)propan-2-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 1-(4-methylsulfonylphenyl)propan-2-amine?
The IUPAC name of 1-(4-methylsulfonylphenyl)propan-2-amine (CID 10890308) is 1-(4-methylsulfonylphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)propan-2-amine?
The canonical SMILES for 1-(4-methylsulfonylphenyl)propan-2-amine is CC(N)Cc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)propan-2-amine?
The InChIKey is IHCJKFBOZVVXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-8(11)7-9-3-5-10(6-4-9)14(2,12)13/h3-6,8H,7,11H2,1-2H3.
What are the key properties of 1-(4-methylsulfonylphenyl)propan-2-amine?
1-(4-methylsulfonylphenyl)propan-2-amine has a molecular weight of 213.30 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)propan-2-amine is sourced from PubChem (CID 10890308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).