2-(4-methylsulfonylphenyl)ethanamine

C9H13NO2S — CID 2760957

IUPAC2-(4-methylsulfonylphenyl)ethanamine
SMILESCS(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C9H13NO2S/c1-13(11,12)9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3
InChIKeyXFXSJOHJDZJFCP-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.59
Rot. Bonds3

About 2-(4-methylsulfonylphenyl)ethanamine

2-(4-methylsulfonylphenyl)ethanamine (PubChem CID 2760957) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)ethanamine
PubChem CID2760957
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name2-(4-methylsulfonylphenyl)ethanamine
SMILESCS(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C9H13NO2S/c1-13(11,12)9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3
InChIKeyXFXSJOHJDZJFCP-UHFFFAOYSA-N
XLogP0.59
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-methylsulfonylphenyl)ethanamine 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 2-(4-methylsulfonylphenyl)ethanamine?
The IUPAC name of 2-(4-methylsulfonylphenyl)ethanamine (CID 2760957) is 2-(4-methylsulfonylphenyl)ethanamine.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)ethanamine?
The canonical SMILES for 2-(4-methylsulfonylphenyl)ethanamine is CS(=O)(=O)c1ccc(CCN)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)ethanamine?
The InChIKey is XFXSJOHJDZJFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-13(11,12)9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3.
What are the key properties of 2-(4-methylsulfonylphenyl)ethanamine?
2-(4-methylsulfonylphenyl)ethanamine has a molecular weight of 199.28 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)ethanamine is sourced from PubChem (CID 2760957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).