4-(2-methylsulfinylethylsulfamoyl)thiophene-2-carboxylic acid

C8H11NO5S3 — CID 104654649

IUPAC4-(2-methylsulfinylethylsulfamoyl)thiophene-2-carboxylic acid
SMILESCS(=O)CCNS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C8H11NO5S3/c1-16(12)3-2-9-17(13,14)6-4-7(8(10)11)15-5-6/h4-5,9H,2-3H2,1H3,(H,10,11)
InChIKeyFQJPWYIEFUHMEV-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.10
Rot. Bonds6

About 4-(2-methylsulfinylethylsulfamoyl)thiophene-2-carboxylic acid

4-(2-methylsulfinylethylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 104654649) has the molecular formula C8H11NO5S3 and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-(2-methylsulfinylethylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylsulfinylethylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID104654649
Molecular FormulaC8H11NO5S3
Molecular Weight297.38 g/mol
Exact Mass296.98
IUPAC Name4-(2-methylsulfinylethylsulfamoyl)thiophene-2-carboxylic acid
SMILESCS(=O)CCNS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C8H11NO5S3/c1-16(12)3-2-9-17(13,14)6-4-7(8(10)11)15-5-6/h4-5,9H,2-3H2,1H3,(H,10,11)
InChIKeyFQJPWYIEFUHMEV-UHFFFAOYSA-N
XLogP0.10
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(pentylsulfamoyl)thiophene-2-carboxylic acid
CID 61072767
4-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 63618345
4-(3-phenylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 61063461
4-(2-thiophen-2-ylethylsulfamoyl)thiophene-2-carboxylic acid
CID 61072796
4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 55249941
4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid
CID 97313462
4-(hydrazinesulfonyl)thiophene-2-carboxylic acid
CID 12704290
4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 115588760
4-[2-(3-methoxy-5-methylphenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 138032189
4-[2-(3-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 61073730
4-[(5-methylthiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61072744
4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 55248975

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfinylethylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(2-methylsulfinylethylsulfamoyl)thiophene-2-carboxylic acid (CID 104654649) is 4-(2-methylsulfinylethylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(2-methylsulfinylethylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(2-methylsulfinylethylsulfamoyl)thiophene-2-carboxylic acid is CS(=O)CCNS(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-(2-methylsulfinylethylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is FQJPWYIEFUHMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5S3/c1-16(12)3-2-9-17(13,14)6-4-7(8(10)11)15-5-6/h4-5,9H,2-3H2,1H3,(H,10,11).
What are the key properties of 4-(2-methylsulfinylethylsulfamoyl)thiophene-2-carboxylic acid?
4-(2-methylsulfinylethylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfinylethylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 104654649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).