4-[methylsulfonyl(phenyl)methyl]-2,3-dihydroazete

C11H13NO2S — CID 90980477

IUPAC4-[methylsulfonyl(phenyl)methyl]-2,3-dihydroazete
SMILESCS(=O)(=O)C(C1=NCC1)c1ccccc1
InChIInChI=1S/C11H13NO2S/c1-15(13,14)11(10-7-8-12-10)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyCYQNIBZTXVBRAO-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.62
Rot. Bonds3

About 4-[methylsulfonyl(phenyl)methyl]-2,3-dihydroazete

4-[methylsulfonyl(phenyl)methyl]-2,3-dihydroazete (PubChem CID 90980477) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 4-[methylsulfonyl(phenyl)methyl]-2,3-dihydroazete.

Molecular Properties

Compound Name4-[methylsulfonyl(phenyl)methyl]-2,3-dihydroazete
PubChem CID90980477
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name4-[methylsulfonyl(phenyl)methyl]-2,3-dihydroazete
SMILESCS(=O)(=O)C(C1=NCC1)c1ccccc1
InChIInChI=1S/C11H13NO2S/c1-15(13,14)11(10-7-8-12-10)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyCYQNIBZTXVBRAO-UHFFFAOYSA-N
XLogP1.62
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[methylsulfonyl(phenyl)methyl]-2,3-dihydroazete 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 4-[methylsulfonyl(phenyl)methyl]-2,3-dihydroazete?
The IUPAC name of 4-[methylsulfonyl(phenyl)methyl]-2,3-dihydroazete (CID 90980477) is 4-[methylsulfonyl(phenyl)methyl]-2,3-dihydroazete.
What is the SMILES notation for 4-[methylsulfonyl(phenyl)methyl]-2,3-dihydroazete?
The canonical SMILES for 4-[methylsulfonyl(phenyl)methyl]-2,3-dihydroazete is CS(=O)(=O)C(C1=NCC1)c1ccccc1.
What is the InChIKey of 4-[methylsulfonyl(phenyl)methyl]-2,3-dihydroazete?
The InChIKey is CYQNIBZTXVBRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-15(13,14)11(10-7-8-12-10)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3.
What are the key properties of 4-[methylsulfonyl(phenyl)methyl]-2,3-dihydroazete?
4-[methylsulfonyl(phenyl)methyl]-2,3-dihydroazete has a molecular weight of 223.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methylsulfonyl(phenyl)methyl]-2,3-dihydroazete is sourced from PubChem (CID 90980477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).