3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

C8H13N3O2S — CID 64888828

IUPAC3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCSCc1noc(C2(N)CCOC2)n1
InChIInChI=1S/C8H13N3O2S/c1-14-4-6-10-7(13-11-6)8(9)2-3-12-5-8/h2-5,9H2,1H3
InChIKeyXAJSCUZISSACCN-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.51
Rot. Bonds3

About 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 64888828) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID64888828
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCSCc1noc(C2(N)CCOC2)n1
InChIInChI=1S/C8H13N3O2S/c1-14-4-6-10-7(13-11-6)8(9)2-3-12-5-8/h2-5,9H2,1H3
InChIKeyXAJSCUZISSACCN-UHFFFAOYSA-N
XLogP0.51
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 64888828) is 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is CSCc1noc(C2(N)CCOC2)n1.
What is the InChIKey of 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is XAJSCUZISSACCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-14-4-6-10-7(13-11-6)8(9)2-3-12-5-8/h2-5,9H2,1H3.
What are the key properties of 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 215.28 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 64888828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).