4-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid

C12H19N3O5S — CID 43348231

IUPAC4-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCCN2CCOCC2)c[nH]1
InChIInChI=1S/C12H19N3O5S/c16-12(17)11-8-10(9-13-11)21(18,19)14-2-1-3-15-4-6-20-7-5-15/h8-9,13-14H,1-7H2,(H,16,17)
InChIKeyYLJXUBMEVVQRPQ-UHFFFAOYSA-N
MW317.37 g/mol
LogP-0.29
Rot. Bonds7

About 4-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid

4-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 43348231) has the molecular formula C12H19N3O5S and a molecular weight of 317.37 g/mol. Its IUPAC name is 4-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
PubChem CID43348231
Molecular FormulaC12H19N3O5S
Molecular Weight317.37 g/mol
Exact Mass317.10
IUPAC Name4-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCCN2CCOCC2)c[nH]1
InChIInChI=1S/C12H19N3O5S/c16-12(17)11-8-10(9-13-11)21(18,19)14-2-1-3-15-4-6-20-7-5-15/h8-9,13-14H,1-7H2,(H,16,17)
InChIKeyYLJXUBMEVVQRPQ-UHFFFAOYSA-N
XLogP-0.29
TPSA111.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(3-morpholin-4-ylpropylsulfamoyl)-1H-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

4-(3-pyrrolidin-1-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 43362200
4-(2-methylsulfanylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 43525958
4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348296
4-(3-phenylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 60913798
5-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60912033
3-amino-4-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 115328739
3-amino-4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348206
4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780760
4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid
CID 4135399
5-(aminomethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-3-sulfonamide
CID 106030588
4-[3-(1H-1,2,4-triazol-5-yl)propylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 64547602
2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 8891748

Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid (CID 43348231) is 4-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCCCN2CCOCC2)c[nH]1.
What is the InChIKey of 4-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is YLJXUBMEVVQRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5S/c16-12(17)11-8-10(9-13-11)21(18,19)14-2-1-3-15-4-6-20-7-5-15/h8-9,13-14H,1-7H2,(H,16,17).
What are the key properties of 4-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
4-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 317.37 g/mol, XLogP of -0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 43348231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).