4-[methyl(4-methylpentan-2-yl)sulfamoyl]thiophene-2-carboxylic acid

C12H19NO4S2 — CID 61072691

IUPAC4-[methyl(4-methylpentan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCC(C)CC(C)N(C)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C12H19NO4S2/c1-8(2)5-9(3)13(4)19(16,17)10-6-11(12(14)15)18-7-10/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyCDMNBAPIQFLKDR-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.50
Rot. Bonds6

About 4-[methyl(4-methylpentan-2-yl)sulfamoyl]thiophene-2-carboxylic acid

4-[methyl(4-methylpentan-2-yl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61072691) has the molecular formula C12H19NO4S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-[methyl(4-methylpentan-2-yl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(4-methylpentan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID61072691
Molecular FormulaC12H19NO4S2
Molecular Weight305.42 g/mol
Exact Mass305.08
IUPAC Name4-[methyl(4-methylpentan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCC(C)CC(C)N(C)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C12H19NO4S2/c1-8(2)5-9(3)13(4)19(16,17)10-6-11(12(14)15)18-7-10/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyCDMNBAPIQFLKDR-UHFFFAOYSA-N
XLogP2.50
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(4-methylpentan-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[methyl(4-methylpentan-2-yl)sulfamoyl]thiophene-2-carboxylic acid (CID 61072691) is 4-[methyl(4-methylpentan-2-yl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[methyl(4-methylpentan-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[methyl(4-methylpentan-2-yl)sulfamoyl]thiophene-2-carboxylic acid is CC(C)CC(C)N(C)S(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[methyl(4-methylpentan-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is CDMNBAPIQFLKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S2/c1-8(2)5-9(3)13(4)19(16,17)10-6-11(12(14)15)18-7-10/h6-9H,5H2,1-4H3,(H,14,15).
What are the key properties of 4-[methyl(4-methylpentan-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
4-[methyl(4-methylpentan-2-yl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 305.42 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(4-methylpentan-2-yl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61072691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).