1-cyclopropyl-4-(2-methoxypropylsulfamoyl)pyrrole-2-carboxylic acid

C12H18N2O5S — CID 102695723

IUPAC1-cyclopropyl-4-(2-methoxypropylsulfamoyl)pyrrole-2-carboxylic acid
SMILESCOC(C)CNS(=O)(=O)c1cc(C(=O)O)n(C2CC2)c1
InChIInChI=1S/C12H18N2O5S/c1-8(19-2)6-13-20(17,18)10-5-11(12(15)16)14(7-10)9-3-4-9/h5,7-9,13H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyHPPAJTBJSDOYTH-UHFFFAOYSA-N
MW302.35 g/mol
LogP0.83
Rot. Bonds7

About 1-cyclopropyl-4-(2-methoxypropylsulfamoyl)pyrrole-2-carboxylic acid

1-cyclopropyl-4-(2-methoxypropylsulfamoyl)pyrrole-2-carboxylic acid (PubChem CID 102695723) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-cyclopropyl-4-(2-methoxypropylsulfamoyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-4-(2-methoxypropylsulfamoyl)pyrrole-2-carboxylic acid
PubChem CID102695723
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name1-cyclopropyl-4-(2-methoxypropylsulfamoyl)pyrrole-2-carboxylic acid
SMILESCOC(C)CNS(=O)(=O)c1cc(C(=O)O)n(C2CC2)c1
InChIInChI=1S/C12H18N2O5S/c1-8(19-2)6-13-20(17,18)10-5-11(12(15)16)14(7-10)9-3-4-9/h5,7-9,13H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyHPPAJTBJSDOYTH-UHFFFAOYSA-N
XLogP0.83
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-4-(2-methoxypropylsulfamoyl)pyrrole-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

Related Compounds

1-cyclopropyl-4-[2-(dimethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid
CID 61044270
5-(chloromethyl)-1-cyclopropyl-N-(2-methoxypropyl)pyrrole-3-sulfonamide
CID 102701378
4-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-1-cyclopropylpyrrole-2-carboxylic acid
CID 106168338
1-cyclopropyl-4-(1-cyclopropylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644618
1-cyclopropyl-4-(3-hydroxypropylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644604
1-cyclopropyl-4-[(2-methylpropan-2-yl)oxysulfamoyl]pyrrole-2-carboxylic acid
CID 82720159
1-cyclopropyl-4-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]pyrrole-2-carboxylic acid
CID 43644658
1-cyclopropyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 43644623
1-cyclopropyl-4-(pyrimidin-2-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644408
1-cyclopropyl-4-(1H-pyrazol-4-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
CID 60999303
1-cyclopropyl-4-(oxolan-3-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
CID 60920665
1-cyclopropyl-4-(piperidin-4-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 61403195

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(2-methoxypropylsulfamoyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-cyclopropyl-4-(2-methoxypropylsulfamoyl)pyrrole-2-carboxylic acid (CID 102695723) is 1-cyclopropyl-4-(2-methoxypropylsulfamoyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-4-(2-methoxypropylsulfamoyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-4-(2-methoxypropylsulfamoyl)pyrrole-2-carboxylic acid is COC(C)CNS(=O)(=O)c1cc(C(=O)O)n(C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-4-(2-methoxypropylsulfamoyl)pyrrole-2-carboxylic acid?
The InChIKey is HPPAJTBJSDOYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-8(19-2)6-13-20(17,18)10-5-11(12(15)16)14(7-10)9-3-4-9/h5,7-9,13H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of 1-cyclopropyl-4-(2-methoxypropylsulfamoyl)pyrrole-2-carboxylic acid?
1-cyclopropyl-4-(2-methoxypropylsulfamoyl)pyrrole-2-carboxylic acid has a molecular weight of 302.35 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(2-methoxypropylsulfamoyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 102695723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).