2-(benzenesulfonyl)ethanamine

C8H11NO2S — CID 3545497

IUPAC2-(benzenesulfonyl)ethanamine
SMILESNCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H11NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChIKeyHEKKXNNVIAECAN-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.42
Rot. Bonds3

About 2-(benzenesulfonyl)ethanamine

2-(benzenesulfonyl)ethanamine (PubChem CID 3545497) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-(benzenesulfonyl)ethanamine.

Molecular Properties

Compound Name2-(benzenesulfonyl)ethanamine
PubChem CID3545497
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2-(benzenesulfonyl)ethanamine
SMILESNCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H11NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChIKeyHEKKXNNVIAECAN-UHFFFAOYSA-N
XLogP0.42
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(benzenesulfonyl)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-(benzenesulfonyl)ethanamine?
The IUPAC name of 2-(benzenesulfonyl)ethanamine (CID 3545497) is 2-(benzenesulfonyl)ethanamine.
What is the SMILES notation for 2-(benzenesulfonyl)ethanamine?
The canonical SMILES for 2-(benzenesulfonyl)ethanamine is NCCS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)ethanamine?
The InChIKey is HEKKXNNVIAECAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,6-7,9H2.
What are the key properties of 2-(benzenesulfonyl)ethanamine?
2-(benzenesulfonyl)ethanamine has a molecular weight of 185.25 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)ethanamine is sourced from PubChem (CID 3545497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).