1,3-dimethyl-3-methylsulfonylazetidine

C6H13NO2S — CID 129023754

IUPAC1,3-dimethyl-3-methylsulfonylazetidine
SMILESCN1CC(C)(S(C)(=O)=O)C1
InChIInChI=1S/C6H13NO2S/c1-6(10(3,8)9)4-7(2)5-6/h4-5H2,1-3H3
InChIKeyCNHIEYPGBTUSND-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.26
Rot. Bonds1

About 1,3-dimethyl-3-methylsulfonylazetidine

1,3-dimethyl-3-methylsulfonylazetidine (PubChem CID 129023754) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 1,3-dimethyl-3-methylsulfonylazetidine.

Molecular Properties

Compound Name1,3-dimethyl-3-methylsulfonylazetidine
PubChem CID129023754
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name1,3-dimethyl-3-methylsulfonylazetidine
SMILESCN1CC(C)(S(C)(=O)=O)C1
InChIInChI=1S/C6H13NO2S/c1-6(10(3,8)9)4-7(2)5-6/h4-5H2,1-3H3
InChIKeyCNHIEYPGBTUSND-UHFFFAOYSA-N
XLogP-0.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3-dimethyl-3-methylsulfonylazetidine 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 1,3-dimethyl-3-methylsulfonylazetidine?
The IUPAC name of 1,3-dimethyl-3-methylsulfonylazetidine (CID 129023754) is 1,3-dimethyl-3-methylsulfonylazetidine.
What is the SMILES notation for 1,3-dimethyl-3-methylsulfonylazetidine?
The canonical SMILES for 1,3-dimethyl-3-methylsulfonylazetidine is CN1CC(C)(S(C)(=O)=O)C1.
What is the InChIKey of 1,3-dimethyl-3-methylsulfonylazetidine?
The InChIKey is CNHIEYPGBTUSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-6(10(3,8)9)4-7(2)5-6/h4-5H2,1-3H3.
What are the key properties of 1,3-dimethyl-3-methylsulfonylazetidine?
1,3-dimethyl-3-methylsulfonylazetidine has a molecular weight of 163.24 g/mol, XLogP of -0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-3-methylsulfonylazetidine is sourced from PubChem (CID 129023754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).