5-methyl-4-(3-methylbut-2-enylsulfamoyl)thiophene-2-carboxylic acid

C11H15NO4S2 — CID 114155436

IUPAC5-methyl-4-(3-methylbut-2-enylsulfamoyl)thiophene-2-carboxylic acid
SMILESCC(C)=CCNS(=O)(=O)c1cc(C(=O)O)sc1C
InChIInChI=1S/C11H15NO4S2/c1-7(2)4-5-12-18(15,16)10-6-9(11(13)14)17-8(10)3/h4,6,12H,5H2,1-3H3,(H,13,14)
InChIKeyXPPBWWSRJLAWTM-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.00
Rot. Bonds5

About 5-methyl-4-(3-methylbut-2-enylsulfamoyl)thiophene-2-carboxylic acid

5-methyl-4-(3-methylbut-2-enylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 114155436) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-methyl-4-(3-methylbut-2-enylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(3-methylbut-2-enylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID114155436
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC Name5-methyl-4-(3-methylbut-2-enylsulfamoyl)thiophene-2-carboxylic acid
SMILESCC(C)=CCNS(=O)(=O)c1cc(C(=O)O)sc1C
InChIInChI=1S/C11H15NO4S2/c1-7(2)4-5-12-18(15,16)10-6-9(11(13)14)17-8(10)3/h4,6,12H,5H2,1-3H3,(H,13,14)
InChIKeyXPPBWWSRJLAWTM-UHFFFAOYSA-N
XLogP2.00
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328601
5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 63328152
4-[(2-hydroxy-2-methylbutyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 65105337
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 63328239
4-[(4-hydroxycyclohexyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 106120685
4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 114331362
4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 106275781
4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 107216418
4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63328331
4-[2-(2-methoxyethoxy)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63329093
5-methyl-4-(1,3-thiazol-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 55260464
4-(3-ethylsulfanylpropylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 114247853

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(3-methylbut-2-enylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-methyl-4-(3-methylbut-2-enylsulfamoyl)thiophene-2-carboxylic acid (CID 114155436) is 5-methyl-4-(3-methylbut-2-enylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(3-methylbut-2-enylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-(3-methylbut-2-enylsulfamoyl)thiophene-2-carboxylic acid is CC(C)=CCNS(=O)(=O)c1cc(C(=O)O)sc1C.
What is the InChIKey of 5-methyl-4-(3-methylbut-2-enylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is XPPBWWSRJLAWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S2/c1-7(2)4-5-12-18(15,16)10-6-9(11(13)14)17-8(10)3/h4,6,12H,5H2,1-3H3,(H,13,14).
What are the key properties of 5-methyl-4-(3-methylbut-2-enylsulfamoyl)thiophene-2-carboxylic acid?
5-methyl-4-(3-methylbut-2-enylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(3-methylbut-2-enylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 114155436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).