3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide

C10H13N3O3S2 — CID 138006243

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide
SMILESCC(C)(C)c1noc(-c2ccsc2S(N)(=O)=O)n1
InChIInChI=1S/C10H13N3O3S2/c1-10(2,3)9-12-7(16-13-9)6-4-5-17-8(6)18(11,14)15/h4-5H,1-3H3,(H2,11,14,15)
InChIKeyUMEVXFUBZIRBEE-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.74
Rot. Bonds2

About 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide (PubChem CID 138006243) has the molecular formula C10H13N3O3S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide
PubChem CID138006243
Molecular FormulaC10H13N3O3S2
Molecular Weight287.37 g/mol
Exact Mass287.04
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide
SMILESCC(C)(C)c1noc(-c2ccsc2S(N)(=O)=O)n1
InChIInChI=1S/C10H13N3O3S2/c1-10(2,3)9-12-7(16-13-9)6-4-5-17-8(6)18(11,14)15/h4-5H,1-3H3,(H2,11,14,15)
InChIKeyUMEVXFUBZIRBEE-UHFFFAOYSA-N
XLogP1.74
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide (CID 138006243) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide is CC(C)(C)c1noc(-c2ccsc2S(N)(=O)=O)n1.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is UMEVXFUBZIRBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S2/c1-10(2,3)9-12-7(16-13-9)6-4-5-17-8(6)18(11,14)15/h4-5H,1-3H3,(H2,11,14,15).
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 287.37 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 138006243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).