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

C8H11NO4S2 — CID 16761948

IUPAC4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCN(C)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C8H11NO4S2/c1-3-9(2)15(12,13)6-4-7(8(10)11)14-5-6/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyZMMKSSMRHFLZOL-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.09
Rot. Bonds4

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

4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 16761948) has the molecular formula C8H11NO4S2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID16761948
Molecular FormulaC8H11NO4S2
Molecular Weight249.31 g/mol
Exact Mass249.01
IUPAC Name4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCN(C)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C8H11NO4S2/c1-3-9(2)15(12,13)6-4-7(8(10)11)14-5-6/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyZMMKSSMRHFLZOL-UHFFFAOYSA-N
XLogP1.09
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylsulfamoyl)thiophene-2-carboxylic acid
CID 27243111
4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61068586
4-[(3-methoxy-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid
CID 55151125
4-[methyl(4-methylpentan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 61072691
4-[(3-methoxy-2-methyl-3-oxopropyl)-methylsulfamoyl]thiophene-2-carboxylic acid
CID 61072437
4-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 105414412
4-[ethyl(2-methylprop-2-enyl)sulfamoyl]thiophene-2-carboxylic acid
CID 55150197
4-[2-hydroxyethyl(propyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63617805
4-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 61073791
4-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61063163
4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61073778
4-[2-methylpropyl(propan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 61074403

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid (CID 16761948) is 4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid is CCN(C)S(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is ZMMKSSMRHFLZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4S2/c1-3-9(2)15(12,13)6-4-7(8(10)11)14-5-6/h4-5H,3H2,1-2H3,(H,10,11).
What are the key properties of 4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid?
4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 16761948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).