5-cyclohex-3-en-1-yl-3-(methylsulfinylmethyl)-1,2,4-oxadiazole

C10H14N2O2S — CID 146089166

IUPAC5-cyclohex-3-en-1-yl-3-(methylsulfinylmethyl)-1,2,4-oxadiazole
SMILESCS(=O)Cc1noc(C2CC=CCC2)n1
InChIInChI=1S/C10H14N2O2S/c1-15(13)7-9-11-10(14-12-9)8-5-3-2-4-6-8/h2-3,8H,4-7H2,1H3
InChIKeyWSMBHILKMLIYDT-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.77
Rot. Bonds3

About 5-cyclohex-3-en-1-yl-3-(methylsulfinylmethyl)-1,2,4-oxadiazole

5-cyclohex-3-en-1-yl-3-(methylsulfinylmethyl)-1,2,4-oxadiazole (PubChem CID 146089166) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 5-cyclohex-3-en-1-yl-3-(methylsulfinylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclohex-3-en-1-yl-3-(methylsulfinylmethyl)-1,2,4-oxadiazole
PubChem CID146089166
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name5-cyclohex-3-en-1-yl-3-(methylsulfinylmethyl)-1,2,4-oxadiazole
SMILESCS(=O)Cc1noc(C2CC=CCC2)n1
InChIInChI=1S/C10H14N2O2S/c1-15(13)7-9-11-10(14-12-9)8-5-3-2-4-6-8/h2-3,8H,4-7H2,1H3
InChIKeyWSMBHILKMLIYDT-UHFFFAOYSA-N
XLogP1.77
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(2-methylcyclopropyl)-3-(methylsulfinylmethyl)-1,2,4-oxadiazole
CID 130634390
5-[(4Z)-cyclooct-4-en-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 167847157
(3aS,7aS)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 95179461
5-[(S)-cyclopropyl(phenyl)methyl]-3-[[(S)-methylsulfinyl]methyl]-1,2,4-oxadiazole
CID 125137894
5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole
CID 130718798
3-[(5-chloro-2-pyridinyl)sulfinylmethyl]-5-cyclopropyl-1,2,4-oxadiazole
CID 167975706
5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 47395992
5-cyclohex-3-en-1-yl-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole
CID 45247859
6-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid
CID 43150102
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,2,4-oxadiazole
CID 167874709
3-(chloromethyl)-5-cyclohexyl-1,2,4-oxadiazole;N-methylformamide
CID 145398456
4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 60812048

Frequently Asked Questions

What is the IUPAC name of 5-cyclohex-3-en-1-yl-3-(methylsulfinylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-cyclohex-3-en-1-yl-3-(methylsulfinylmethyl)-1,2,4-oxadiazole (CID 146089166) is 5-cyclohex-3-en-1-yl-3-(methylsulfinylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclohex-3-en-1-yl-3-(methylsulfinylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclohex-3-en-1-yl-3-(methylsulfinylmethyl)-1,2,4-oxadiazole is CS(=O)Cc1noc(C2CC=CCC2)n1.
What is the InChIKey of 5-cyclohex-3-en-1-yl-3-(methylsulfinylmethyl)-1,2,4-oxadiazole?
The InChIKey is WSMBHILKMLIYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-15(13)7-9-11-10(14-12-9)8-5-3-2-4-6-8/h2-3,8H,4-7H2,1H3.
What are the key properties of 5-cyclohex-3-en-1-yl-3-(methylsulfinylmethyl)-1,2,4-oxadiazole?
5-cyclohex-3-en-1-yl-3-(methylsulfinylmethyl)-1,2,4-oxadiazole has a molecular weight of 226.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohex-3-en-1-yl-3-(methylsulfinylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 146089166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).