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

C10H15NO4S3 — CID 112657989

IUPAC5-methyl-4-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCSCCN(C)S(=O)(=O)c1cc(C(=O)O)sc1C
InChIInChI=1S/C10H15NO4S3/c1-7-9(6-8(17-7)10(12)13)18(14,15)11(2)4-5-16-3/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyGLUAALDMQIAORW-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.74
Rot. Bonds6

About 5-methyl-4-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-2-carboxylic acid

5-methyl-4-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 112657989) has the molecular formula C10H15NO4S3 and a molecular weight of 309.43 g/mol. Its IUPAC name is 5-methyl-4-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID112657989
Molecular FormulaC10H15NO4S3
Molecular Weight309.43 g/mol
Exact Mass309.02
IUPAC Name5-methyl-4-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCSCCN(C)S(=O)(=O)c1cc(C(=O)O)sc1C
InChIInChI=1S/C10H15NO4S3/c1-7-9(6-8(17-7)10(12)13)18(14,15)11(2)4-5-16-3/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyGLUAALDMQIAORW-UHFFFAOYSA-N
XLogP1.74
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-hydroxyethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328778
4-[cyclopropylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 55200554
2,4-dimethyl-5-[methyl(2-methylsulfanylethyl)sulfamoyl]benzoic acid
CID 115985507
4-[cyclohexylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63329128
4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 114948667
4-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 113475560
4-ethyl-3-[methyl(2-methylsulfanylethyl)sulfamoyl]benzoic acid
CID 115985490
4-amino-2-[methyl(2-methylsulfanylethyl)sulfamoyl]benzoic acid
CID 102931570
2,5-dichloro-3-[methyl(2-methylsulfanylethyl)sulfamoyl]benzoic acid
CID 115985502
5-methyl-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63329006
5-methyl-4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]thiophene-2-carboxylic acid
CID 63329047
5-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-3-carboxylic acid
CID 112657971

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-2-carboxylic acid (CID 112657989) is 5-methyl-4-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-2-carboxylic acid is CSCCN(C)S(=O)(=O)c1cc(C(=O)O)sc1C.
What is the InChIKey of 5-methyl-4-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is GLUAALDMQIAORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S3/c1-7-9(6-8(17-7)10(12)13)18(14,15)11(2)4-5-16-3/h6H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 5-methyl-4-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-2-carboxylic acid?
5-methyl-4-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 309.43 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 112657989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).