2-(methylsulfanylmethyl)-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazole

C8H12N2O2S — CID 130703890

IUPAC2-(methylsulfanylmethyl)-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazole
SMILESCSCc1nnc([C@@H]2CCCO2)o1
InChIInChI=1S/C8H12N2O2S/c1-13-5-7-9-10-8(12-7)6-3-2-4-11-6/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyIHGUTSLXMJSDRG-LURJTMIESA-N
MW200.26 g/mol
LogP1.78
Rot. Bonds3

About 2-(methylsulfanylmethyl)-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazole

2-(methylsulfanylmethyl)-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazole (PubChem CID 130703890) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazole
PubChem CID130703890
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-(methylsulfanylmethyl)-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazole
SMILESCSCc1nnc([C@@H]2CCCO2)o1
InChIInChI=1S/C8H12N2O2S/c1-13-5-7-9-10-8(12-7)6-3-2-4-11-6/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyIHGUTSLXMJSDRG-LURJTMIESA-N
XLogP1.78
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(methylsulfanylmethyl)-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazole (CID 130703890) is 2-(methylsulfanylmethyl)-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(methylsulfanylmethyl)-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(methylsulfanylmethyl)-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazole is CSCc1nnc([C@@H]2CCCO2)o1.
What is the InChIKey of 2-(methylsulfanylmethyl)-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazole?
The InChIKey is IHGUTSLXMJSDRG-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-13-5-7-9-10-8(12-7)6-3-2-4-11-6/h6H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of 2-(methylsulfanylmethyl)-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazole?
2-(methylsulfanylmethyl)-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazole has a molecular weight of 200.26 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)-5-[(2S)-oxolan-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 130703890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).