4-[cyclopropylmethyl(methyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid

C13H20N2O4S — CID 60952035

IUPAC4-[cyclopropylmethyl(methyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
SMILESCCCn1cc(S(=O)(=O)N(C)CC2CC2)cc1C(=O)O
InChIInChI=1S/C13H20N2O4S/c1-3-6-15-9-11(7-12(15)13(16)17)20(18,19)14(2)8-10-4-5-10/h7,9-10H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyWFTDBVSUARAYNF-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.63
Rot. Bonds7

About 4-[cyclopropylmethyl(methyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid

4-[cyclopropylmethyl(methyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid (PubChem CID 60952035) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(methyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopropylmethyl(methyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
PubChem CID60952035
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name4-[cyclopropylmethyl(methyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
SMILESCCCn1cc(S(=O)(=O)N(C)CC2CC2)cc1C(=O)O
InChIInChI=1S/C13H20N2O4S/c1-3-6-15-9-11(7-12(15)13(16)17)20(18,19)14(2)8-10-4-5-10/h7,9-10H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyWFTDBVSUARAYNF-UHFFFAOYSA-N
XLogP1.63
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclopropylmethyl(methyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 60952181
4-[methyl(2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 43644518
4-(cyclobutylmethylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 43644546
4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 104551545
N-(cyclopropylmethyl)-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612217
4-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 43644688
4-[1-cyanopropan-2-yl(methyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 63223189
4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-1-propylpyrrole-2-carboxylic acid
CID 107215322
4-[1-(dimethylamino)propan-2-ylsulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 82925470
4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-1-propylpyrrole-2-carboxylic acid
CID 61409191
4-(2-methylpiperidin-1-yl)sulfonyl-1-propylpyrrole-2-carboxylic acid
CID 43644200
4-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 115358273

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(methyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[cyclopropylmethyl(methyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid (CID 60952035) is 4-[cyclopropylmethyl(methyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[cyclopropylmethyl(methyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[cyclopropylmethyl(methyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid is CCCn1cc(S(=O)(=O)N(C)CC2CC2)cc1C(=O)O.
What is the InChIKey of 4-[cyclopropylmethyl(methyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid?
The InChIKey is WFTDBVSUARAYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-3-6-15-9-11(7-12(15)13(16)17)20(18,19)14(2)8-10-4-5-10/h7,9-10H,3-6,8H2,1-2H3,(H,16,17).
What are the key properties of 4-[cyclopropylmethyl(methyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid?
4-[cyclopropylmethyl(methyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid has a molecular weight of 300.38 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(methyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid is sourced from PubChem (CID 60952035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).