4-methyl-3-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid

C13H21NO4S2 — CID 102748091

IUPAC4-methyl-3-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)NC(C)CCC(C)C
InChIInChI=1S/C13H21NO4S2/c1-8(2)5-6-10(4)14-20(17,18)12-9(3)7-19-11(12)13(15)16/h7-8,10,14H,5-6H2,1-4H3,(H,15,16)
InChIKeySODOVVSCZNWBQS-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.86
Rot. Bonds7

About 4-methyl-3-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid

4-methyl-3-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 102748091) has the molecular formula C13H21NO4S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-methyl-3-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID102748091
Molecular FormulaC13H21NO4S2
Molecular Weight319.45 g/mol
Exact Mass319.09
IUPAC Name4-methyl-3-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)NC(C)CCC(C)C
InChIInChI=1S/C13H21NO4S2/c1-8(2)5-6-10(4)14-20(17,18)12-9(3)7-19-11(12)13(15)16/h7-8,10,14H,5-6H2,1-4H3,(H,15,16)
InChIKeySODOVVSCZNWBQS-UHFFFAOYSA-N
XLogP2.86
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-3-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid (CID 102748091) is 4-methyl-3-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1S(=O)(=O)NC(C)CCC(C)C.
What is the InChIKey of 4-methyl-3-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is SODOVVSCZNWBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S2/c1-8(2)5-6-10(4)14-20(17,18)12-9(3)7-19-11(12)13(15)16/h7-8,10,14H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 4-methyl-3-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
4-methyl-3-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 319.45 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 102748091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).