4-(2-pyrrol-1-ylethylsulfamoyl)butanoic acid

C10H16N2O4S — CID 106390637

IUPAC4-(2-pyrrol-1-ylethylsulfamoyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCCn1cccc1
InChIInChI=1S/C10H16N2O4S/c13-10(14)4-3-9-17(15,16)11-5-8-12-6-1-2-7-12/h1-2,6-7,11H,3-5,8-9H2,(H,13,14)
InChIKeyIKILXIIFMSDHHB-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.27
Rot. Bonds8

About 4-(2-pyrrol-1-ylethylsulfamoyl)butanoic acid

4-(2-pyrrol-1-ylethylsulfamoyl)butanoic acid (PubChem CID 106390637) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-(2-pyrrol-1-ylethylsulfamoyl)butanoic acid.

Molecular Properties

Compound Name4-(2-pyrrol-1-ylethylsulfamoyl)butanoic acid
PubChem CID106390637
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name4-(2-pyrrol-1-ylethylsulfamoyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCCn1cccc1
InChIInChI=1S/C10H16N2O4S/c13-10(14)4-3-9-17(15,16)11-5-8-12-6-1-2-7-12/h1-2,6-7,11H,3-5,8-9H2,(H,13,14)
InChIKeyIKILXIIFMSDHHB-UHFFFAOYSA-N
XLogP0.27
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyrrol-1-ylethyl)butane-1-sulfonamide
CID 110716313
2-chloro-N-(2-pyrrol-1-ylethyl)ethanesulfonamide
CID 106391230
4-(3-hydroxybutylsulfamoyl)butanoic acid
CID 64928300
4-(2-phenoxyethylsulfamoyl)butanoic acid
CID 55012765
4-[2-(3-phenylpropoxy)ethylsulfamoyl]butanoic acid
CID 174418153
4-(3-methoxypropylsulfamoyl)butanoic acid
CID 28513471
4-(3-methylsulfanylpropylsulfamoyl)butanoic acid
CID 63965509
3-(2-pyrrol-1-ylethylsulfamoylmethyl)benzoic acid
CID 106390646
4-[2-(2-fluorophenyl)ethylsulfamoyl]butanoic acid
CID 28513594
7-(butylsulfonylamino)heptanoic acid
CID 24704780
4-[[3-(cyclopropylamino)-3-oxopropyl]sulfamoyl]butanoic acid
CID 79394848
4-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]butanoic acid
CID 55097859

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrol-1-ylethylsulfamoyl)butanoic acid?
The IUPAC name of 4-(2-pyrrol-1-ylethylsulfamoyl)butanoic acid (CID 106390637) is 4-(2-pyrrol-1-ylethylsulfamoyl)butanoic acid.
What is the SMILES notation for 4-(2-pyrrol-1-ylethylsulfamoyl)butanoic acid?
The canonical SMILES for 4-(2-pyrrol-1-ylethylsulfamoyl)butanoic acid is O=C(O)CCCS(=O)(=O)NCCn1cccc1.
What is the InChIKey of 4-(2-pyrrol-1-ylethylsulfamoyl)butanoic acid?
The InChIKey is IKILXIIFMSDHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c13-10(14)4-3-9-17(15,16)11-5-8-12-6-1-2-7-12/h1-2,6-7,11H,3-5,8-9H2,(H,13,14).
What are the key properties of 4-(2-pyrrol-1-ylethylsulfamoyl)butanoic acid?
4-(2-pyrrol-1-ylethylsulfamoyl)butanoic acid has a molecular weight of 260.31 g/mol, XLogP of 0.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrol-1-ylethylsulfamoyl)butanoic acid is sourced from PubChem (CID 106390637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).