3-(methanesulfonamido)azetidine-1-carboxylic acid

C5H10N2O4S — CID 118497389

IUPAC3-(methanesulfonamido)azetidine-1-carboxylic acid
SMILESCS(=O)(=O)NC1CN(C(=O)O)C1
InChIInChI=1S/C5H10N2O4S/c1-12(10,11)6-4-2-7(3-4)5(8)9/h4,6H,2-3H2,1H3,(H,8,9)
InChIKeyGPDLWAQBMSPQHU-UHFFFAOYSA-N
MW194.21 g/mol
LogP-1.10
Rot. Bonds2

About 3-(methanesulfonamido)azetidine-1-carboxylic acid

3-(methanesulfonamido)azetidine-1-carboxylic acid (PubChem CID 118497389) has the molecular formula C5H10N2O4S and a molecular weight of 194.21 g/mol. Its IUPAC name is 3-(methanesulfonamido)azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(methanesulfonamido)azetidine-1-carboxylic acid
PubChem CID118497389
Molecular FormulaC5H10N2O4S
Molecular Weight194.21 g/mol
Exact Mass194.04
IUPAC Name3-(methanesulfonamido)azetidine-1-carboxylic acid
SMILESCS(=O)(=O)NC1CN(C(=O)O)C1
InChIInChI=1S/C5H10N2O4S/c1-12(10,11)6-4-2-7(3-4)5(8)9/h4,6H,2-3H2,1H3,(H,8,9)
InChIKeyGPDLWAQBMSPQHU-UHFFFAOYSA-N
XLogP-1.10
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(methanesulfonamido)azetidine-1-carboxylic acid 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 3-(methanesulfonamido)azetidine-1-carboxylic acid?
The IUPAC name of 3-(methanesulfonamido)azetidine-1-carboxylic acid (CID 118497389) is 3-(methanesulfonamido)azetidine-1-carboxylic acid.
What is the SMILES notation for 3-(methanesulfonamido)azetidine-1-carboxylic acid?
The canonical SMILES for 3-(methanesulfonamido)azetidine-1-carboxylic acid is CS(=O)(=O)NC1CN(C(=O)O)C1.
What is the InChIKey of 3-(methanesulfonamido)azetidine-1-carboxylic acid?
The InChIKey is GPDLWAQBMSPQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4S/c1-12(10,11)6-4-2-7(3-4)5(8)9/h4,6H,2-3H2,1H3,(H,8,9).
What are the key properties of 3-(methanesulfonamido)azetidine-1-carboxylic acid?
3-(methanesulfonamido)azetidine-1-carboxylic acid has a molecular weight of 194.21 g/mol, XLogP of -1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)azetidine-1-carboxylic acid is sourced from PubChem (CID 118497389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).