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

C13H20N2O3S — CID 119043582

IUPAC3-[3-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide
SMILESCC1CCCCC1c1noc(C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C13H20N2O3S/c1-9-4-2-3-5-11(9)12-14-13(18-15-12)10-6-7-19(16,17)8-10/h9-11H,2-8H2,1H3
InChIKeyZLEOOZVKTKFAMZ-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.27
Rot. Bonds2

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

3-[3-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide (PubChem CID 119043582) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-[3-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[3-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide
PubChem CID119043582
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name3-[3-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide
SMILESCC1CCCCC1c1noc(C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C13H20N2O3S/c1-9-4-2-3-5-11(9)12-14-13(18-15-12)10-6-7-19(16,17)8-10/h9-11H,2-8H2,1H3
InChIKeyZLEOOZVKTKFAMZ-UHFFFAOYSA-N
XLogP2.27
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chloro-1,2,4-oxadiazol-5-yl)thiolane 1,1-dioxide
CID 112572058
3-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide
CID 115336043
3-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-3-yl]thiolane 1,1-dioxide
CID 115335846
5-methyl-3-(2-methylcyclohexyl)-1,2,4-oxadiazole
CID 126993675
3-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide
CID 115335815
3-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474192
3-[5-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-3-yl]propanoic acid
CID 115048591
(3R,5R)-5-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912474
(1S)-1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115337585
3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide
CID 82904778
1-[5-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 104635792
3-[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide
CID 71980978

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide?
The IUPAC name of 3-[3-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide (CID 119043582) is 3-[3-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[3-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[3-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide is CC1CCCCC1c1noc(C2CCS(=O)(=O)C2)n1.
What is the InChIKey of 3-[3-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide?
The InChIKey is ZLEOOZVKTKFAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-4-2-3-5-11(9)12-14-13(18-15-12)10-6-7-19(16,17)8-10/h9-11H,2-8H2,1H3.
What are the key properties of 3-[3-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide?
3-[3-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide has a molecular weight of 284.38 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 119043582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).