4-(2-pyrrolidin-1-ylethylsulfamoyl)thiophene-2-carboxylic acid

C11H16N2O4S2 — CID 55149640

IUPAC4-(2-pyrrolidin-1-ylethylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCN2CCCC2)cs1
InChIInChI=1S/C11H16N2O4S2/c14-11(15)10-7-9(8-18-10)19(16,17)12-3-6-13-4-1-2-5-13/h7-8,12H,1-6H2,(H,14,15)
InChIKeyBWGBAGDIJQXZIR-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.82
Rot. Bonds6

About 4-(2-pyrrolidin-1-ylethylsulfamoyl)thiophene-2-carboxylic acid

4-(2-pyrrolidin-1-ylethylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 55149640) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-(2-pyrrolidin-1-ylethylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-pyrrolidin-1-ylethylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID55149640
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Name4-(2-pyrrolidin-1-ylethylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCN2CCCC2)cs1
InChIInChI=1S/C11H16N2O4S2/c14-11(15)10-7-9(8-18-10)19(16,17)12-3-6-13-4-1-2-5-13/h7-8,12H,1-6H2,(H,14,15)
InChIKeyBWGBAGDIJQXZIR-UHFFFAOYSA-N
XLogP0.82
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-1-ylethylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(2-pyrrolidin-1-ylethylsulfamoyl)thiophene-2-carboxylic acid (CID 55149640) is 4-(2-pyrrolidin-1-ylethylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(2-pyrrolidin-1-ylethylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(2-pyrrolidin-1-ylethylsulfamoyl)thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCCN2CCCC2)cs1.
What is the InChIKey of 4-(2-pyrrolidin-1-ylethylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is BWGBAGDIJQXZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c14-11(15)10-7-9(8-18-10)19(16,17)12-3-6-13-4-1-2-5-13/h7-8,12H,1-6H2,(H,14,15).
What are the key properties of 4-(2-pyrrolidin-1-ylethylsulfamoyl)thiophene-2-carboxylic acid?
4-(2-pyrrolidin-1-ylethylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 304.39 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-1-ylethylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 55149640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).