4-[[3-oxo-3-(propylamino)propyl]sulfamoyl]thiophene-2-carboxylic acid

C11H16N2O5S2 — CID 63617834

IUPAC4-[[3-oxo-3-(propylamino)propyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESCCCNC(=O)CCNS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C11H16N2O5S2/c1-2-4-12-10(14)3-5-13-20(17,18)8-6-9(11(15)16)19-7-8/h6-7,13H,2-5H2,1H3,(H,12,14)(H,15,16)
InChIKeyGKUSVEGFPRJQNH-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.64
Rot. Bonds8

About 4-[[3-oxo-3-(propylamino)propyl]sulfamoyl]thiophene-2-carboxylic acid

4-[[3-oxo-3-(propylamino)propyl]sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 63617834) has the molecular formula C11H16N2O5S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[[3-oxo-3-(propylamino)propyl]sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[[3-oxo-3-(propylamino)propyl]sulfamoyl]thiophene-2-carboxylic acid
PubChem CID63617834
Molecular FormulaC11H16N2O5S2
Molecular Weight320.39 g/mol
Exact Mass320.05
IUPAC Name4-[[3-oxo-3-(propylamino)propyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESCCCNC(=O)CCNS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C11H16N2O5S2/c1-2-4-12-10(14)3-5-13-20(17,18)8-6-9(11(15)16)19-7-8/h6-7,13H,2-5H2,1H3,(H,12,14)(H,15,16)
InChIKeyGKUSVEGFPRJQNH-UHFFFAOYSA-N
XLogP0.64
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-oxo-3-(propylamino)propyl]sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[[3-oxo-3-(propylamino)propyl]sulfamoyl]thiophene-2-carboxylic acid (CID 63617834) is 4-[[3-oxo-3-(propylamino)propyl]sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[[3-oxo-3-(propylamino)propyl]sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[[3-oxo-3-(propylamino)propyl]sulfamoyl]thiophene-2-carboxylic acid is CCCNC(=O)CCNS(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[[3-oxo-3-(propylamino)propyl]sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is GKUSVEGFPRJQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S2/c1-2-4-12-10(14)3-5-13-20(17,18)8-6-9(11(15)16)19-7-8/h6-7,13H,2-5H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 4-[[3-oxo-3-(propylamino)propyl]sulfamoyl]thiophene-2-carboxylic acid?
4-[[3-oxo-3-(propylamino)propyl]sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 0.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-oxo-3-(propylamino)propyl]sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63617834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).