5-[cyclopropyl(propyl)sulfamoyl]thiophene-2-carboxylic acid

C11H15NO4S2 — CID 54907804

IUPAC5-[cyclopropyl(propyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCCN(C1CC1)S(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C11H15NO4S2/c1-2-7-12(8-3-4-8)18(15,16)10-6-5-9(17-10)11(13)14/h5-6,8H,2-4,7H2,1H3,(H,13,14)
InChIKeyKKMCFWJSHDVKTA-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.01
Rot. Bonds6

About 5-[cyclopropyl(propyl)sulfamoyl]thiophene-2-carboxylic acid

5-[cyclopropyl(propyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 54907804) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-[cyclopropyl(propyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[cyclopropyl(propyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID54907804
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC Name5-[cyclopropyl(propyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCCN(C1CC1)S(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C11H15NO4S2/c1-2-7-12(8-3-4-8)18(15,16)10-6-5-9(17-10)11(13)14/h5-6,8H,2-4,7H2,1H3,(H,13,14)
InChIKeyKKMCFWJSHDVKTA-UHFFFAOYSA-N
XLogP2.01
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(propyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[cyclopropyl(propyl)sulfamoyl]thiophene-2-carboxylic acid (CID 54907804) is 5-[cyclopropyl(propyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[cyclopropyl(propyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[cyclopropyl(propyl)sulfamoyl]thiophene-2-carboxylic acid is CCCN(C1CC1)S(=O)(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[cyclopropyl(propyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is KKMCFWJSHDVKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S2/c1-2-7-12(8-3-4-8)18(15,16)10-6-5-9(17-10)11(13)14/h5-6,8H,2-4,7H2,1H3,(H,13,14).
What are the key properties of 5-[cyclopropyl(propyl)sulfamoyl]thiophene-2-carboxylic acid?
5-[cyclopropyl(propyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(propyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 54907804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).