1-methylsulfonylpyrrolidine-2-carboxylic acid

C6H11NO4S — CID 3851268

IUPAC1-methylsulfonylpyrrolidine-2-carboxylic acid
SMILESCS(=O)(=O)N1CCCC1C(=O)O
InChIInChI=1S/C6H11NO4S/c1-12(10,11)7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)
InChIKeyOGVCJOXRWBEJDW-UHFFFAOYSA-N
MW193.22 g/mol
LogP-0.50
Rot. Bonds2

About 1-methylsulfonylpyrrolidine-2-carboxylic acid

1-methylsulfonylpyrrolidine-2-carboxylic acid (PubChem CID 3851268) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is 1-methylsulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-methylsulfonylpyrrolidine-2-carboxylic acid
PubChem CID3851268
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Name1-methylsulfonylpyrrolidine-2-carboxylic acid
SMILESCS(=O)(=O)N1CCCC1C(=O)O
InChIInChI=1S/C6H11NO4S/c1-12(10,11)7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)
InChIKeyOGVCJOXRWBEJDW-UHFFFAOYSA-N
XLogP-0.50
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methylsulfonylpyrrolidine-2-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 1-methylsulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-methylsulfonylpyrrolidine-2-carboxylic acid (CID 3851268) is 1-methylsulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-methylsulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-methylsulfonylpyrrolidine-2-carboxylic acid is CS(=O)(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-methylsulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is OGVCJOXRWBEJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4S/c1-12(10,11)7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9).
What are the key properties of 1-methylsulfonylpyrrolidine-2-carboxylic acid?
1-methylsulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 193.22 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3851268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).