1-ethylsulfonyl-3-methylazetidine

C6H13NO2S — CID 126994183

IUPAC1-ethylsulfonyl-3-methylazetidine
SMILESCCS(=O)(=O)N1CC(C)C1
InChIInChI=1S/C6H13NO2S/c1-3-10(8,9)7-4-6(2)5-7/h6H,3-5H2,1-2H3
InChIKeyCWIGREWPBLDDLV-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.29
Rot. Bonds2

About 1-ethylsulfonyl-3-methylazetidine

1-ethylsulfonyl-3-methylazetidine (PubChem CID 126994183) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 1-ethylsulfonyl-3-methylazetidine.

Molecular Properties

Compound Name1-ethylsulfonyl-3-methylazetidine
PubChem CID126994183
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name1-ethylsulfonyl-3-methylazetidine
SMILESCCS(=O)(=O)N1CC(C)C1
InChIInChI=1S/C6H13NO2S/c1-3-10(8,9)7-4-6(2)5-7/h6H,3-5H2,1-2H3
InChIKeyCWIGREWPBLDDLV-UHFFFAOYSA-N
XLogP0.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethylsulfonyl-3-methylazetidine 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-ethylsulfonyl-3-methylazetidine?
The IUPAC name of 1-ethylsulfonyl-3-methylazetidine (CID 126994183) is 1-ethylsulfonyl-3-methylazetidine.
What is the SMILES notation for 1-ethylsulfonyl-3-methylazetidine?
The canonical SMILES for 1-ethylsulfonyl-3-methylazetidine is CCS(=O)(=O)N1CC(C)C1.
What is the InChIKey of 1-ethylsulfonyl-3-methylazetidine?
The InChIKey is CWIGREWPBLDDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-3-10(8,9)7-4-6(2)5-7/h6H,3-5H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-3-methylazetidine?
1-ethylsulfonyl-3-methylazetidine has a molecular weight of 163.24 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-3-methylazetidine is sourced from PubChem (CID 126994183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).