1-methyl-5-(2-methylpropanoylsulfamoyl)pyrrole-2-carboxylic acid

C10H14N2O5S — CID 140922620

IUPAC1-methyl-5-(2-methylpropanoylsulfamoyl)pyrrole-2-carboxylic acid
SMILESCC(C)C(=O)NS(=O)(=O)c1ccc(C(=O)O)n1C
InChIInChI=1S/C10H14N2O5S/c1-6(2)9(13)11-18(16,17)8-5-4-7(10(14)15)12(8)3/h4-6H,1-3H3,(H,11,13)(H,14,15)
InChIKeyCGAZUMZDUJJCLJ-UHFFFAOYSA-N
MW274.30 g/mol
LogP0.18
Rot. Bonds4

About 1-methyl-5-(2-methylpropanoylsulfamoyl)pyrrole-2-carboxylic acid

1-methyl-5-(2-methylpropanoylsulfamoyl)pyrrole-2-carboxylic acid (PubChem CID 140922620) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-methyl-5-(2-methylpropanoylsulfamoyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-(2-methylpropanoylsulfamoyl)pyrrole-2-carboxylic acid
PubChem CID140922620
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Name1-methyl-5-(2-methylpropanoylsulfamoyl)pyrrole-2-carboxylic acid
SMILESCC(C)C(=O)NS(=O)(=O)c1ccc(C(=O)O)n1C
InChIInChI=1S/C10H14N2O5S/c1-6(2)9(13)11-18(16,17)8-5-4-7(10(14)15)12(8)3/h4-6H,1-3H3,(H,11,13)(H,14,15)
InChIKeyCGAZUMZDUJJCLJ-UHFFFAOYSA-N
XLogP0.18
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-methylpropanoylsulfamoyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-methyl-5-(2-methylpropanoylsulfamoyl)pyrrole-2-carboxylic acid (CID 140922620) is 1-methyl-5-(2-methylpropanoylsulfamoyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-5-(2-methylpropanoylsulfamoyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-methyl-5-(2-methylpropanoylsulfamoyl)pyrrole-2-carboxylic acid is CC(C)C(=O)NS(=O)(=O)c1ccc(C(=O)O)n1C.
What is the InChIKey of 1-methyl-5-(2-methylpropanoylsulfamoyl)pyrrole-2-carboxylic acid?
The InChIKey is CGAZUMZDUJJCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-6(2)9(13)11-18(16,17)8-5-4-7(10(14)15)12(8)3/h4-6H,1-3H3,(H,11,13)(H,14,15).
What are the key properties of 1-methyl-5-(2-methylpropanoylsulfamoyl)pyrrole-2-carboxylic acid?
1-methyl-5-(2-methylpropanoylsulfamoyl)pyrrole-2-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-methylpropanoylsulfamoyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 140922620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).