3-methylsulfonylazetidine

C4H9NO2S — CID 52911274

IUPAC3-methylsulfonylazetidine
SMILESCS(=O)(=O)C1CNC1
InChIInChI=1S/C4H9NO2S/c1-8(6,7)4-2-5-3-4/h4-5H,2-3H2,1H3
InChIKeyCUSQXAPAQNXLMS-UHFFFAOYSA-N
MW135.19 g/mol
LogP-1.00
Rot. Bonds1

About 3-methylsulfonylazetidine

3-methylsulfonylazetidine (PubChem CID 52911274) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is 3-methylsulfonylazetidine.

Molecular Properties

Compound Name3-methylsulfonylazetidine
PubChem CID52911274
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC Name3-methylsulfonylazetidine
SMILESCS(=O)(=O)C1CNC1
InChIInChI=1S/C4H9NO2S/c1-8(6,7)4-2-5-3-4/h4-5H,2-3H2,1H3
InChIKeyCUSQXAPAQNXLMS-UHFFFAOYSA-N
XLogP-1.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonylazetidine?
The IUPAC name of 3-methylsulfonylazetidine (CID 52911274) is 3-methylsulfonylazetidine.
What is the SMILES notation for 3-methylsulfonylazetidine?
The canonical SMILES for 3-methylsulfonylazetidine is CS(=O)(=O)C1CNC1.
What is the InChIKey of 3-methylsulfonylazetidine?
The InChIKey is CUSQXAPAQNXLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S/c1-8(6,7)4-2-5-3-4/h4-5H,2-3H2,1H3.
What are the key properties of 3-methylsulfonylazetidine?
3-methylsulfonylazetidine has a molecular weight of 135.19 g/mol, XLogP of -1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonylazetidine is sourced from PubChem (CID 52911274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).