5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid

C10H11N3O5S2 — CID 106414900

IUPAC5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
SMILESCc1nc(CCNS(=O)(=O)c2cc(C(=O)O)cs2)no1
InChIInChI=1S/C10H11N3O5S2/c1-6-12-8(13-18-6)2-3-11-20(16,17)9-4-7(5-19-9)10(14)15/h4-5,11H,2-3H2,1H3,(H,14,15)
InChIKeyYPDVBNRFNHSSNW-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.66
Rot. Bonds6

About 5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid

5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid (PubChem CID 106414900) has the molecular formula C10H11N3O5S2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
PubChem CID106414900
Molecular FormulaC10H11N3O5S2
Molecular Weight317.35 g/mol
Exact Mass317.01
IUPAC Name5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
SMILESCc1nc(CCNS(=O)(=O)c2cc(C(=O)O)cs2)no1
InChIInChI=1S/C10H11N3O5S2/c1-6-12-8(13-18-6)2-3-11-20(16,17)9-4-7(5-19-9)10(14)15/h4-5,11H,2-3H2,1H3,(H,14,15)
InChIKeyYPDVBNRFNHSSNW-UHFFFAOYSA-N
XLogP0.66
TPSA122.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 103004685
5-(2-aminoethylsulfamoyl)thiophene-3-carboxylic acid
CID 61402682
5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 106414877
5-(2-aminoethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106419898
5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671
4-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid
CID 106394852
5-(dimethylaminosulfamoyl)thiophene-3-carboxylic acid
CID 83005192
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 43214885
4-(methylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106410707
3-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzoic acid
CID 114186370
5-(5,5,5-trifluoropentylsulfamoyl)thiophene-3-carboxylic acid
CID 115515900
5-(3-cyanopropylsulfamoyl)thiophene-3-carboxylic acid
CID 62667746

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid (CID 106414900) is 5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid is Cc1nc(CCNS(=O)(=O)c2cc(C(=O)O)cs2)no1.
What is the InChIKey of 5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is YPDVBNRFNHSSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5S2/c1-6-12-8(13-18-6)2-3-11-20(16,17)9-4-7(5-19-9)10(14)15/h4-5,11H,2-3H2,1H3,(H,14,15).
What are the key properties of 5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid?
5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 317.35 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 106414900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).