4-(1-cyclopropylbutan-2-ylsulfamoyl)-5-methylthiophene-2-carboxylic acid

C13H19NO4S2 — CID 63994247

IUPAC4-(1-cyclopropylbutan-2-ylsulfamoyl)-5-methylthiophene-2-carboxylic acid
SMILESCCC(CC1CC1)NS(=O)(=O)c1cc(C(=O)O)sc1C
InChIInChI=1S/C13H19NO4S2/c1-3-10(6-9-4-5-9)14-20(17,18)12-7-11(13(15)16)19-8(12)2/h7,9-10,14H,3-6H2,1-2H3,(H,15,16)
InChIKeySPXSYKYASUJRBX-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.61
Rot. Bonds7

About 4-(1-cyclopropylbutan-2-ylsulfamoyl)-5-methylthiophene-2-carboxylic acid

4-(1-cyclopropylbutan-2-ylsulfamoyl)-5-methylthiophene-2-carboxylic acid (PubChem CID 63994247) has the molecular formula C13H19NO4S2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-(1-cyclopropylbutan-2-ylsulfamoyl)-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-cyclopropylbutan-2-ylsulfamoyl)-5-methylthiophene-2-carboxylic acid
PubChem CID63994247
Molecular FormulaC13H19NO4S2
Molecular Weight317.43 g/mol
Exact Mass317.08
IUPAC Name4-(1-cyclopropylbutan-2-ylsulfamoyl)-5-methylthiophene-2-carboxylic acid
SMILESCCC(CC1CC1)NS(=O)(=O)c1cc(C(=O)O)sc1C
InChIInChI=1S/C13H19NO4S2/c1-3-10(6-9-4-5-9)14-20(17,18)12-7-11(13(15)16)19-8(12)2/h7,9-10,14H,3-6H2,1-2H3,(H,15,16)
InChIKeySPXSYKYASUJRBX-UHFFFAOYSA-N
XLogP2.61
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylbutan-2-ylsulfamoyl)-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-(1-cyclopropylbutan-2-ylsulfamoyl)-5-methylthiophene-2-carboxylic acid (CID 63994247) is 4-(1-cyclopropylbutan-2-ylsulfamoyl)-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-(1-cyclopropylbutan-2-ylsulfamoyl)-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-(1-cyclopropylbutan-2-ylsulfamoyl)-5-methylthiophene-2-carboxylic acid is CCC(CC1CC1)NS(=O)(=O)c1cc(C(=O)O)sc1C.
What is the InChIKey of 4-(1-cyclopropylbutan-2-ylsulfamoyl)-5-methylthiophene-2-carboxylic acid?
The InChIKey is SPXSYKYASUJRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S2/c1-3-10(6-9-4-5-9)14-20(17,18)12-7-11(13(15)16)19-8(12)2/h7,9-10,14H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 4-(1-cyclopropylbutan-2-ylsulfamoyl)-5-methylthiophene-2-carboxylic acid?
4-(1-cyclopropylbutan-2-ylsulfamoyl)-5-methylthiophene-2-carboxylic acid has a molecular weight of 317.43 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylbutan-2-ylsulfamoyl)-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 63994247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).