3-(cyclopropylmethoxy)-1-sulfamoylpyrrole-2-carboxylic acid

C9H12N2O5S — CID 148602319

IUPAC3-(cyclopropylmethoxy)-1-sulfamoylpyrrole-2-carboxylic acid
SMILESNS(=O)(=O)n1ccc(OCC2CC2)c1C(=O)O
InChIInChI=1S/C9H12N2O5S/c10-17(14,15)11-4-3-7(8(11)9(12)13)16-5-6-1-2-6/h3-4,6H,1-2,5H2,(H,12,13)(H2,10,14,15)
InChIKeyNCSZOHQWPIVUHH-UHFFFAOYSA-N
MW260.27 g/mol
LogP0.03
Rot. Bonds5

About 3-(cyclopropylmethoxy)-1-sulfamoylpyrrole-2-carboxylic acid

3-(cyclopropylmethoxy)-1-sulfamoylpyrrole-2-carboxylic acid (PubChem CID 148602319) has the molecular formula C9H12N2O5S and a molecular weight of 260.27 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-1-sulfamoylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-1-sulfamoylpyrrole-2-carboxylic acid
PubChem CID148602319
Molecular FormulaC9H12N2O5S
Molecular Weight260.27 g/mol
Exact Mass260.05
IUPAC Name3-(cyclopropylmethoxy)-1-sulfamoylpyrrole-2-carboxylic acid
SMILESNS(=O)(=O)n1ccc(OCC2CC2)c1C(=O)O
InChIInChI=1S/C9H12N2O5S/c10-17(14,15)11-4-3-7(8(11)9(12)13)16-5-6-1-2-6/h3-4,6H,1-2,5H2,(H,12,13)(H2,10,14,15)
InChIKeyNCSZOHQWPIVUHH-UHFFFAOYSA-N
XLogP0.03
TPSA111.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopropylmethoxy)-3-sulfamoylbenzoic acid
CID 43560583
3,4-bis(cyclopropylmethoxy)benzoic acid
CID 102594223
5-amino-2-(cyclopropylmethoxy)benzoic acid
CID 43560606
2-amino-3-(cyclopropylmethoxy)-6-fluorobenzoic acid
CID 103586472
4-amino-2-(cyclopentylmethoxy)benzoic acid
CID 66321807
4-(oxan-4-ylmethoxy)-3-sulfamoylbenzoic acid
CID 62386977
1-sulfamoyl-3-(4-sulfanylphenyl)pyrrole-2-carboxylic acid
CID 156742295
4-bromo-2-(cyclopropylmethoxy)benzoic acid
CID 60763604
4-(cyclopropylmethoxy)-2,3-dimethylbenzenesulfonamide
CID 43560584
4-amino-3-(cyclopentylmethoxy)benzoic acid
CID 61344123
2-amino-4-(cyclopropylmethoxy)-5-methoxybenzoic acid
CID 84798459
8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;dihydrochloride
CID 90072983

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-1-sulfamoylpyrrole-2-carboxylic acid?
The IUPAC name of 3-(cyclopropylmethoxy)-1-sulfamoylpyrrole-2-carboxylic acid (CID 148602319) is 3-(cyclopropylmethoxy)-1-sulfamoylpyrrole-2-carboxylic acid.
What is the SMILES notation for 3-(cyclopropylmethoxy)-1-sulfamoylpyrrole-2-carboxylic acid?
The canonical SMILES for 3-(cyclopropylmethoxy)-1-sulfamoylpyrrole-2-carboxylic acid is NS(=O)(=O)n1ccc(OCC2CC2)c1C(=O)O.
What is the InChIKey of 3-(cyclopropylmethoxy)-1-sulfamoylpyrrole-2-carboxylic acid?
The InChIKey is NCSZOHQWPIVUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5S/c10-17(14,15)11-4-3-7(8(11)9(12)13)16-5-6-1-2-6/h3-4,6H,1-2,5H2,(H,12,13)(H2,10,14,15).
What are the key properties of 3-(cyclopropylmethoxy)-1-sulfamoylpyrrole-2-carboxylic acid?
3-(cyclopropylmethoxy)-1-sulfamoylpyrrole-2-carboxylic acid has a molecular weight of 260.27 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-1-sulfamoylpyrrole-2-carboxylic acid is sourced from PubChem (CID 148602319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).