3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid

C10H15N3O4S — CID 63149609

IUPAC3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
SMILESCn1cnc(S(=O)(=O)N2CCC(C)(C(=O)O)C2)c1
InChIInChI=1S/C10H15N3O4S/c1-10(9(14)15)3-4-13(6-10)18(16,17)8-5-12(2)7-11-8/h5,7H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyVUVRHFRJBINEFP-UHFFFAOYSA-N
MW273.31 g/mol
LogP-0.09
Rot. Bonds3

About 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid

3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid (PubChem CID 63149609) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
PubChem CID63149609
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
SMILESCn1cnc(S(=O)(=O)N2CCC(C)(C(=O)O)C2)c1
InChIInChI=1S/C10H15N3O4S/c1-10(9(14)15)3-4-13(6-10)18(16,17)8-5-12(2)7-11-8/h5,7H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyVUVRHFRJBINEFP-UHFFFAOYSA-N
XLogP-0.09
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid (CID 63149609) is 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid is Cn1cnc(S(=O)(=O)N2CCC(C)(C(=O)O)C2)c1.
What is the InChIKey of 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid?
The InChIKey is VUVRHFRJBINEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-10(9(14)15)3-4-13(6-10)18(16,17)8-5-12(2)7-11-8/h5,7H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid?
3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63149609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).