5-tert-butyl-3-(thiophen-2-ylsulfonylmethyl)-1,2,4-oxadiazole

C11H14N2O3S2 — CID 59848498

IUPAC5-tert-butyl-3-(thiophen-2-ylsulfonylmethyl)-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(CS(=O)(=O)c2cccs2)no1
InChIInChI=1S/C11H14N2O3S2/c1-11(2,3)10-12-8(13-16-10)7-18(14,15)9-5-4-6-17-9/h4-6H,7H2,1-3H3
InChIKeyLLWSISSKDZGYSK-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.40
Rot. Bonds3

About 5-tert-butyl-3-(thiophen-2-ylsulfonylmethyl)-1,2,4-oxadiazole

5-tert-butyl-3-(thiophen-2-ylsulfonylmethyl)-1,2,4-oxadiazole (PubChem CID 59848498) has the molecular formula C11H14N2O3S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-tert-butyl-3-(thiophen-2-ylsulfonylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-(thiophen-2-ylsulfonylmethyl)-1,2,4-oxadiazole
PubChem CID59848498
Molecular FormulaC11H14N2O3S2
Molecular Weight286.38 g/mol
Exact Mass286.04
IUPAC Name5-tert-butyl-3-(thiophen-2-ylsulfonylmethyl)-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(CS(=O)(=O)c2cccs2)no1
InChIInChI=1S/C11H14N2O3S2/c1-11(2,3)10-12-8(13-16-10)7-18(14,15)9-5-4-6-17-9/h4-6H,7H2,1-3H3
InChIKeyLLWSISSKDZGYSK-UHFFFAOYSA-N
XLogP2.40
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 86974192
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 86974213
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110294399
N-[2-(benzenesulfonyl)ethyl]-2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 167783653
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-thiazole-5-sulfonamide
CID 166291352
tert-butyl N-[2-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]phenyl]ethyl]carbamate
CID 11166151
(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl methanesulfonate
CID 135204657
1-phenyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 62502858
tert-butyl 3-thiophen-2-ylsulfonylpropanoate
CID 116662446
3,3-dimethyl-1-thiophen-2-ylsulfonylbutan-2-amine
CID 64646199
(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanethiol
CID 151668705
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 110294366

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(thiophen-2-ylsulfonylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-(thiophen-2-ylsulfonylmethyl)-1,2,4-oxadiazole (CID 59848498) is 5-tert-butyl-3-(thiophen-2-ylsulfonylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-(thiophen-2-ylsulfonylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-(thiophen-2-ylsulfonylmethyl)-1,2,4-oxadiazole is CC(C)(C)c1nc(CS(=O)(=O)c2cccs2)no1.
What is the InChIKey of 5-tert-butyl-3-(thiophen-2-ylsulfonylmethyl)-1,2,4-oxadiazole?
The InChIKey is LLWSISSKDZGYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S2/c1-11(2,3)10-12-8(13-16-10)7-18(14,15)9-5-4-6-17-9/h4-6H,7H2,1-3H3.
What are the key properties of 5-tert-butyl-3-(thiophen-2-ylsulfonylmethyl)-1,2,4-oxadiazole?
5-tert-butyl-3-(thiophen-2-ylsulfonylmethyl)-1,2,4-oxadiazole has a molecular weight of 286.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(thiophen-2-ylsulfonylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 59848498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).