2-[(4-ethylphenyl)methylsulfonyl]ethanamine

C11H17NO2S — CID 79017600

IUPAC2-[(4-ethylphenyl)methylsulfonyl]ethanamine
SMILESCCc1ccc(CS(=O)(=O)CCN)cc1
InChIInChI=1S/C11H17NO2S/c1-2-10-3-5-11(6-4-10)9-15(13,14)8-7-12/h3-6H,2,7-9,12H2,1H3
InChIKeyVXIJZRRXWJSOJL-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.12
Rot. Bonds5

About 2-[(4-ethylphenyl)methylsulfonyl]ethanamine

2-[(4-ethylphenyl)methylsulfonyl]ethanamine (PubChem CID 79017600) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methylsulfonyl]ethanamine.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methylsulfonyl]ethanamine
PubChem CID79017600
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-[(4-ethylphenyl)methylsulfonyl]ethanamine
SMILESCCc1ccc(CS(=O)(=O)CCN)cc1
InChIInChI=1S/C11H17NO2S/c1-2-10-3-5-11(6-4-10)9-15(13,14)8-7-12/h3-6H,2,7-9,12H2,1H3
InChIKeyVXIJZRRXWJSOJL-UHFFFAOYSA-N
XLogP1.12
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-ethylphenyl)methylsulfonyl]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-ethylphenyl)methylsulfonyl]ethanamine?
The IUPAC name of 2-[(4-ethylphenyl)methylsulfonyl]ethanamine (CID 79017600) is 2-[(4-ethylphenyl)methylsulfonyl]ethanamine.
What is the SMILES notation for 2-[(4-ethylphenyl)methylsulfonyl]ethanamine?
The canonical SMILES for 2-[(4-ethylphenyl)methylsulfonyl]ethanamine is CCc1ccc(CS(=O)(=O)CCN)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methylsulfonyl]ethanamine?
The InChIKey is VXIJZRRXWJSOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-2-10-3-5-11(6-4-10)9-15(13,14)8-7-12/h3-6H,2,7-9,12H2,1H3.
What are the key properties of 2-[(4-ethylphenyl)methylsulfonyl]ethanamine?
2-[(4-ethylphenyl)methylsulfonyl]ethanamine has a molecular weight of 227.33 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methylsulfonyl]ethanamine is sourced from PubChem (CID 79017600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).