5-[cyclopropyl(2-methylpropyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

C13H19NO4S2 — CID 60952426

IUPAC5-[cyclopropyl(2-methylpropyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)N(CC(C)C)C2CC2)sc1C(=O)O
InChIInChI=1S/C13H19NO4S2/c1-8(2)7-14(10-4-5-10)20(17,18)11-6-9(3)12(19-11)13(15)16/h6,8,10H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyCEMJEGLCTOLHQS-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.56
Rot. Bonds6

About 5-[cyclopropyl(2-methylpropyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

5-[cyclopropyl(2-methylpropyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (PubChem CID 60952426) has the molecular formula C13H19NO4S2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 5-[cyclopropyl(2-methylpropyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[cyclopropyl(2-methylpropyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
PubChem CID60952426
Molecular FormulaC13H19NO4S2
Molecular Weight317.43 g/mol
Exact Mass317.08
IUPAC Name5-[cyclopropyl(2-methylpropyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)N(CC(C)C)C2CC2)sc1C(=O)O
InChIInChI=1S/C13H19NO4S2/c1-8(2)7-14(10-4-5-10)20(17,18)11-6-9(3)12(19-11)13(15)16/h6,8,10H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyCEMJEGLCTOLHQS-UHFFFAOYSA-N
XLogP2.56
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(2-methylpropyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[cyclopropyl(2-methylpropyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (CID 60952426) is 5-[cyclopropyl(2-methylpropyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[cyclopropyl(2-methylpropyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[cyclopropyl(2-methylpropyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)N(CC(C)C)C2CC2)sc1C(=O)O.
What is the InChIKey of 5-[cyclopropyl(2-methylpropyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The InChIKey is CEMJEGLCTOLHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S2/c1-8(2)7-14(10-4-5-10)20(17,18)11-6-9(3)12(19-11)13(15)16/h6,8,10H,4-5,7H2,1-3H3,(H,15,16).
What are the key properties of 5-[cyclopropyl(2-methylpropyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
5-[cyclopropyl(2-methylpropyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid has a molecular weight of 317.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(2-methylpropyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 60952426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).