3-methylsulfonylazetidine;hydrochloride

C4H10ClNO2S — CID 70700193

IUPAC3-methylsulfonylazetidine;hydrochloride
SMILESCS(=O)(=O)C1CNC1.Cl
InChIInChI=1S/C4H9NO2S.ClH/c1-8(6,7)4-2-5-3-4;/h4-5H,2-3H2,1H3;1H
InChIKeyVGUZBHCVRWHGTL-UHFFFAOYSA-N
MW171.65 g/mol
LogP-0.58
Rot. Bonds1

About 3-methylsulfonylazetidine;hydrochloride

3-methylsulfonylazetidine;hydrochloride (PubChem CID 70700193) has the molecular formula C4H10ClNO2S and a molecular weight of 171.65 g/mol. Its IUPAC name is 3-methylsulfonylazetidine;hydrochloride.

Molecular Properties

Compound Name3-methylsulfonylazetidine;hydrochloride
PubChem CID70700193
Molecular FormulaC4H10ClNO2S
Molecular Weight171.65 g/mol
Exact Mass171.01
IUPAC Name3-methylsulfonylazetidine;hydrochloride
SMILESCS(=O)(=O)C1CNC1.Cl
InChIInChI=1S/C4H9NO2S.ClH/c1-8(6,7)4-2-5-3-4;/h4-5H,2-3H2,1H3;1H
InChIKeyVGUZBHCVRWHGTL-UHFFFAOYSA-N
XLogP-0.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.65
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonylazetidine;hydrochloride?
The IUPAC name of 3-methylsulfonylazetidine;hydrochloride (CID 70700193) is 3-methylsulfonylazetidine;hydrochloride.
What is the SMILES notation for 3-methylsulfonylazetidine;hydrochloride?
The canonical SMILES for 3-methylsulfonylazetidine;hydrochloride is CS(=O)(=O)C1CNC1.Cl.
What is the InChIKey of 3-methylsulfonylazetidine;hydrochloride?
The InChIKey is VGUZBHCVRWHGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S.ClH/c1-8(6,7)4-2-5-3-4;/h4-5H,2-3H2,1H3;1H.
What are the key properties of 3-methylsulfonylazetidine;hydrochloride?
3-methylsulfonylazetidine;hydrochloride has a molecular weight of 171.65 g/mol, XLogP of -0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonylazetidine;hydrochloride is sourced from PubChem (CID 70700193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).