4-(cyclobutylmethylsulfamoyl)-1-propylpyrrole-2-carboxylic acid

C13H20N2O4S — CID 43644546

IUPAC4-(cyclobutylmethylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
SMILESCCCn1cc(S(=O)(=O)NCC2CCC2)cc1C(=O)O
InChIInChI=1S/C13H20N2O4S/c1-2-6-15-9-11(7-12(15)13(16)17)20(18,19)14-8-10-4-3-5-10/h7,9-10,14H,2-6,8H2,1H3,(H,16,17)
InChIKeyBKECTKREODHLEI-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.67
Rot. Bonds7

About 4-(cyclobutylmethylsulfamoyl)-1-propylpyrrole-2-carboxylic acid

4-(cyclobutylmethylsulfamoyl)-1-propylpyrrole-2-carboxylic acid (PubChem CID 43644546) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-(cyclobutylmethylsulfamoyl)-1-propylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(cyclobutylmethylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
PubChem CID43644546
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name4-(cyclobutylmethylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
SMILESCCCn1cc(S(=O)(=O)NCC2CCC2)cc1C(=O)O
InChIInChI=1S/C13H20N2O4S/c1-2-6-15-9-11(7-12(15)13(16)17)20(18,19)14-8-10-4-3-5-10/h7,9-10,14H,2-6,8H2,1H3,(H,16,17)
InChIKeyBKECTKREODHLEI-UHFFFAOYSA-N
XLogP1.67
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methoxy-2-oxoethyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 43644286
1-ethyl-4-[(1-methylpyrrolidin-2-yl)methylsulfamoyl]pyrrole-2-carboxylic acid
CID 106019286
4-(2,3-dimethylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 64571046
4-(2-methylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 62693061
4-[cyclopropylmethyl(methyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 60952035
4-(2-cyclopentylethylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
CID 60920573
4-(2,3-dihydroxypropylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 66169532
4-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 115358273
4-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 66185336
4-[3-(ethylamino)propylsulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 61403782
4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-1-propylpyrrole-2-carboxylic acid
CID 107215322
4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-1-propylpyrrole-2-carboxylic acid
CID 61409191

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethylsulfamoyl)-1-propylpyrrole-2-carboxylic acid?
The IUPAC name of 4-(cyclobutylmethylsulfamoyl)-1-propylpyrrole-2-carboxylic acid (CID 43644546) is 4-(cyclobutylmethylsulfamoyl)-1-propylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(cyclobutylmethylsulfamoyl)-1-propylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-(cyclobutylmethylsulfamoyl)-1-propylpyrrole-2-carboxylic acid is CCCn1cc(S(=O)(=O)NCC2CCC2)cc1C(=O)O.
What is the InChIKey of 4-(cyclobutylmethylsulfamoyl)-1-propylpyrrole-2-carboxylic acid?
The InChIKey is BKECTKREODHLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-2-6-15-9-11(7-12(15)13(16)17)20(18,19)14-8-10-4-3-5-10/h7,9-10,14H,2-6,8H2,1H3,(H,16,17).
What are the key properties of 4-(cyclobutylmethylsulfamoyl)-1-propylpyrrole-2-carboxylic acid?
4-(cyclobutylmethylsulfamoyl)-1-propylpyrrole-2-carboxylic acid has a molecular weight of 300.38 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethylsulfamoyl)-1-propylpyrrole-2-carboxylic acid is sourced from PubChem (CID 43644546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).