4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid

C10H13NO4S2 — CID 63329014

IUPAC4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NC1CCC1
InChIInChI=1S/C10H13NO4S2/c1-6-9(5-8(16-6)10(12)13)17(14,15)11-7-3-2-4-7/h5,7,11H,2-4H2,1H3,(H,12,13)
InChIKeyXDGZQBBLVFYVSG-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.59
Rot. Bonds4

About 4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid

4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid (PubChem CID 63329014) has the molecular formula C10H13NO4S2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid
PubChem CID63329014
Molecular FormulaC10H13NO4S2
Molecular Weight275.35 g/mol
Exact Mass275.03
IUPAC Name4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NC1CCC1
InChIInChI=1S/C10H13NO4S2/c1-6-9(5-8(16-6)10(12)13)17(14,15)11-7-3-2-4-7/h5,7,11H,2-4H2,1H3,(H,12,13)
InChIKeyXDGZQBBLVFYVSG-UHFFFAOYSA-N
XLogP1.59
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid (CID 63329014) is 4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1S(=O)(=O)NC1CCC1.
What is the InChIKey of 4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid?
The InChIKey is XDGZQBBLVFYVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S2/c1-6-9(5-8(16-6)10(12)13)17(14,15)11-7-3-2-4-7/h5,7,11H,2-4H2,1H3,(H,12,13).
What are the key properties of 4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid?
4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 63329014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).