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

C13H18N2O4S — CID 43644618

IUPAC1-cyclopropyl-4-(1-cyclopropylethylsulfamoyl)pyrrole-2-carboxylic acid
SMILESCC(NS(=O)(=O)c1cc(C(=O)O)n(C2CC2)c1)C1CC1
InChIInChI=1S/C13H18N2O4S/c1-8(9-2-3-9)14-20(18,19)11-6-12(13(16)17)15(7-11)10-4-5-10/h6-10,14H,2-5H2,1H3,(H,16,17)
InChIKeyUSEALHHEQRJSAK-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.60
Rot. Bonds6

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

1-cyclopropyl-4-(1-cyclopropylethylsulfamoyl)pyrrole-2-carboxylic acid (PubChem CID 43644618) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-cyclopropyl-4-(1-cyclopropylethylsulfamoyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-4-(1-cyclopropylethylsulfamoyl)pyrrole-2-carboxylic acid
PubChem CID43644618
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name1-cyclopropyl-4-(1-cyclopropylethylsulfamoyl)pyrrole-2-carboxylic acid
SMILESCC(NS(=O)(=O)c1cc(C(=O)O)n(C2CC2)c1)C1CC1
InChIInChI=1S/C13H18N2O4S/c1-8(9-2-3-9)14-20(18,19)11-6-12(13(16)17)15(7-11)10-4-5-10/h6-10,14H,2-5H2,1H3,(H,16,17)
InChIKeyUSEALHHEQRJSAK-UHFFFAOYSA-N
XLogP1.60
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-4-[2-(dimethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid
CID 61044270
1-cyclopropyl-4-(2-methoxypropylsulfamoyl)pyrrole-2-carboxylic acid
CID 102695723
1-cyclopropyl-4-[1-cyclopropylethyl(methyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 43644665
1-cyclopropyl-4-[(2-methylpropan-2-yl)oxysulfamoyl]pyrrole-2-carboxylic acid
CID 82720159
4-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-1-cyclopropylpyrrole-2-carboxylic acid
CID 106168338
1-cyclopropyl-4-(3-hydroxypropylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644604
1-cyclopropyl-4-(piperidin-4-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 61403195
1-cyclopropyl-4-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]pyrrole-2-carboxylic acid
CID 43644658
1-cyclopropyl-4-(pyrimidin-2-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644408
1-cyclopropyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 43644623
1-cyclopropyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxylic acid
CID 43644291
1-cyclopropyl-4-(oxolan-3-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
CID 60920665

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(1-cyclopropylethylsulfamoyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-cyclopropyl-4-(1-cyclopropylethylsulfamoyl)pyrrole-2-carboxylic acid (CID 43644618) is 1-cyclopropyl-4-(1-cyclopropylethylsulfamoyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-4-(1-cyclopropylethylsulfamoyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-4-(1-cyclopropylethylsulfamoyl)pyrrole-2-carboxylic acid is CC(NS(=O)(=O)c1cc(C(=O)O)n(C2CC2)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-4-(1-cyclopropylethylsulfamoyl)pyrrole-2-carboxylic acid?
The InChIKey is USEALHHEQRJSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-8(9-2-3-9)14-20(18,19)11-6-12(13(16)17)15(7-11)10-4-5-10/h6-10,14H,2-5H2,1H3,(H,16,17).
What are the key properties of 1-cyclopropyl-4-(1-cyclopropylethylsulfamoyl)pyrrole-2-carboxylic acid?
1-cyclopropyl-4-(1-cyclopropylethylsulfamoyl)pyrrole-2-carboxylic acid has a molecular weight of 298.36 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(1-cyclopropylethylsulfamoyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 43644618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).