5-methyl-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid

C9H9N3O5S2 — CID 114183306

IUPAC5-methyl-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NCc1ncon1
InChIInChI=1S/C9H9N3O5S2/c1-5-7(2-6(18-5)9(13)14)19(15,16)11-3-8-10-4-17-12-8/h2,4,11H,3H2,1H3,(H,13,14)
InChIKeySAMNDUIDRRBDRW-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.62
Rot. Bonds5

About 5-methyl-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid

5-methyl-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 114183306) has the molecular formula C9H9N3O5S2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 5-methyl-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID114183306
Molecular FormulaC9H9N3O5S2
Molecular Weight303.32 g/mol
Exact Mass303.00
IUPAC Name5-methyl-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NCc1ncon1
InChIInChI=1S/C9H9N3O5S2/c1-5-7(2-6(18-5)9(13)14)19(15,16)11-3-8-10-4-17-12-8/h2,4,11H,3H2,1H3,(H,13,14)
InChIKeySAMNDUIDRRBDRW-UHFFFAOYSA-N
XLogP0.62
TPSA122.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-4-(1,3-thiazol-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 55260464
5-bromo-4-[2-(1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 106395240
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 63328239
4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 114331362
4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328601
3-amino-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)benzoic acid
CID 106392086
5-amino-2-fluoro-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392187
5-(aminomethyl)-2,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106411081
5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 63328152
5-methyl-4-(3-methylbut-2-enylsulfamoyl)thiophene-2-carboxylic acid
CID 114155436
5-methyl-4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 55201517
4-[(3-chlorophenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328289

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-methyl-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid (CID 114183306) is 5-methyl-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1S(=O)(=O)NCc1ncon1.
What is the InChIKey of 5-methyl-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is SAMNDUIDRRBDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O5S2/c1-5-7(2-6(18-5)9(13)14)19(15,16)11-3-8-10-4-17-12-8/h2,4,11H,3H2,1H3,(H,13,14).
What are the key properties of 5-methyl-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid?
5-methyl-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 114183306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).