3-methyl-1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid

C11H16N2O4S — CID 63149089

IUPAC3-methyl-1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
SMILESCn1ccc(S(=O)(=O)N2CCC(C)(C(=O)O)C2)c1
InChIInChI=1S/C11H16N2O4S/c1-11(10(14)15)4-6-13(8-11)18(16,17)9-3-5-12(2)7-9/h3,5,7H,4,6,8H2,1-2H3,(H,14,15)
InChIKeyPQCSTIKZTUPLGS-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.51
Rot. Bonds3

About 3-methyl-1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid

3-methyl-1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid (PubChem CID 63149089) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-methyl-1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
PubChem CID63149089
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name3-methyl-1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
SMILESCn1ccc(S(=O)(=O)N2CCC(C)(C(=O)O)C2)c1
InChIInChI=1S/C11H16N2O4S/c1-11(10(14)15)4-6-13(8-11)18(16,17)9-3-5-12(2)7-9/h3,5,7H,4,6,8H2,1-2H3,(H,14,15)
InChIKeyPQCSTIKZTUPLGS-UHFFFAOYSA-N
XLogP0.51
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid (CID 63149089) is 3-methyl-1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid is Cn1ccc(S(=O)(=O)N2CCC(C)(C(=O)O)C2)c1.
What is the InChIKey of 3-methyl-1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid?
The InChIKey is PQCSTIKZTUPLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-11(10(14)15)4-6-13(8-11)18(16,17)9-3-5-12(2)7-9/h3,5,7H,4,6,8H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid?
3-methyl-1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid has a molecular weight of 272.33 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63149089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).