4-(2-piperidin-1-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid

C13H21N3O4S — CID 61009733

IUPAC4-(2-piperidin-1-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
SMILESCC(CNS(=O)(=O)c1c[nH]c(C(=O)O)c1)N1CCCCC1
InChIInChI=1S/C13H21N3O4S/c1-10(16-5-3-2-4-6-16)8-15-21(19,20)11-7-12(13(17)18)14-9-11/h7,9-10,14-15H,2-6,8H2,1H3,(H,17,18)
InChIKeyPWRFECQELSMLMB-UHFFFAOYSA-N
MW315.39 g/mol
LogP0.87
Rot. Bonds6

About 4-(2-piperidin-1-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid

4-(2-piperidin-1-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 61009733) has the molecular formula C13H21N3O4S and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-(2-piperidin-1-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-piperidin-1-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
PubChem CID61009733
Molecular FormulaC13H21N3O4S
Molecular Weight315.39 g/mol
Exact Mass315.13
IUPAC Name4-(2-piperidin-1-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
SMILESCC(CNS(=O)(=O)c1c[nH]c(C(=O)O)c1)N1CCCCC1
InChIInChI=1S/C13H21N3O4S/c1-10(16-5-3-2-4-6-16)8-15-21(19,20)11-7-12(13(17)18)14-9-11/h7,9-10,14-15H,2-6,8H2,1H3,(H,17,18)
InChIKeyPWRFECQELSMLMB-UHFFFAOYSA-N
XLogP0.87
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-hydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 65034109
N-(2-piperidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
CID 54903887
4-(3-pyrrolidin-1-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 43362200
N-[2-(methylamino)propyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
CID 120825513
4-(2,2-dimethylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 61167038
3-bromo-4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 106545497
N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide
CID 96508325
3-bromo-4-methoxy-N-(2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 112727228
4-(2-methylsulfanylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 43525958
4-(pentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780827
3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzenesulfonamide
CID 93157622
N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxybenzenesulfonamide
CID 112502420

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-1-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(2-piperidin-1-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid (CID 61009733) is 4-(2-piperidin-1-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(2-piperidin-1-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(2-piperidin-1-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid is CC(CNS(=O)(=O)c1c[nH]c(C(=O)O)c1)N1CCCCC1.
What is the InChIKey of 4-(2-piperidin-1-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is PWRFECQELSMLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-10(16-5-3-2-4-6-16)8-15-21(19,20)11-7-12(13(17)18)14-9-11/h7,9-10,14-15H,2-6,8H2,1H3,(H,17,18).
What are the key properties of 4-(2-piperidin-1-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
4-(2-piperidin-1-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 315.39 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-1-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 61009733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).