3-[5-[1-(azetidin-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]thiolane 1,1-dioxide

C11H17N3O3S — CID 116682617

IUPAC3-[5-[1-(azetidin-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]thiolane 1,1-dioxide
SMILESCC(c1nc(C2CCS(=O)(=O)C2)no1)C1CNC1
InChIInChI=1S/C11H17N3O3S/c1-7(9-4-12-5-9)11-13-10(14-17-11)8-2-3-18(15,16)6-8/h7-9,12H,2-6H2,1H3
InChIKeyPMINUARURILCGE-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.29
Rot. Bonds3

About 3-[5-[1-(azetidin-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]thiolane 1,1-dioxide

3-[5-[1-(azetidin-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]thiolane 1,1-dioxide (PubChem CID 116682617) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-[5-[1-(azetidin-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[5-[1-(azetidin-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]thiolane 1,1-dioxide
PubChem CID116682617
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name3-[5-[1-(azetidin-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]thiolane 1,1-dioxide
SMILESCC(c1nc(C2CCS(=O)(=O)C2)no1)C1CNC1
InChIInChI=1S/C11H17N3O3S/c1-7(9-4-12-5-9)11-13-10(14-17-11)8-2-3-18(15,16)6-8/h7-9,12H,2-6H2,1H3
InChIKeyPMINUARURILCGE-UHFFFAOYSA-N
XLogP0.29
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-[1-(azetidin-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]thiolane 1,1-dioxide with MolForge

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Related Compounds

(1S)-1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901772
(1S)-1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115337585
N-[1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 113289901
1-[3-(1,1-dioxothian-4-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115079891
3-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide
CID 115336043
(1R)-1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 104902174
3-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
CID 113289869
1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 113289589
1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methylbutan-2-amine
CID 115337564
4-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutanenitrile
CID 106526317
5-[1-(azetidin-3-yl)ethyl]-3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazole
CID 103344561
(3R,5R)-5-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912474

Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-(azetidin-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]thiolane 1,1-dioxide?
The IUPAC name of 3-[5-[1-(azetidin-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]thiolane 1,1-dioxide (CID 116682617) is 3-[5-[1-(azetidin-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[5-[1-(azetidin-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[5-[1-(azetidin-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]thiolane 1,1-dioxide is CC(c1nc(C2CCS(=O)(=O)C2)no1)C1CNC1.
What is the InChIKey of 3-[5-[1-(azetidin-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]thiolane 1,1-dioxide?
The InChIKey is PMINUARURILCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-7(9-4-12-5-9)11-13-10(14-17-11)8-2-3-18(15,16)6-8/h7-9,12H,2-6H2,1H3.
What are the key properties of 3-[5-[1-(azetidin-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]thiolane 1,1-dioxide?
3-[5-[1-(azetidin-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]thiolane 1,1-dioxide has a molecular weight of 271.34 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-(azetidin-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 116682617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).