3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide

C10H15N3O3S2 — CID 82904778

IUPAC3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2noc(C3CSCCN3)n2)C1
InChIInChI=1S/C10H15N3O3S2/c14-18(15)4-1-7(6-18)9-12-10(16-13-9)8-5-17-3-2-11-8/h7-8,11H,1-6H2
InChIKeyYJDHECITMOBQLZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.35
Rot. Bonds2

About 3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide

3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide (PubChem CID 82904778) has the molecular formula C10H15N3O3S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide
PubChem CID82904778
Molecular FormulaC10H15N3O3S2
Molecular Weight289.38 g/mol
Exact Mass289.06
IUPAC Name3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2noc(C3CSCCN3)n2)C1
InChIInChI=1S/C10H15N3O3S2/c14-18(15)4-1-7(6-18)9-12-10(16-13-9)8-5-17-3-2-11-8/h7-8,11H,1-6H2
InChIKeyYJDHECITMOBQLZ-UHFFFAOYSA-N
XLogP0.35
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide
CID 115335815
3-(4,4-dimethylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82905089
(3R,5R)-5-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912474
3-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide
CID 115336043
3-(4-propylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82905254
3-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-3-yl]thiolane 1,1-dioxide
CID 115335846
3-(2,3-dihydro-1H-inden-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82902403
3-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474192
3-(azepan-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 116808059
(1S)-1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901772
5-thiomorpholin-3-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 82905084
2-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 115336062

Frequently Asked Questions

What is the IUPAC name of 3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide (CID 82904778) is 3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide is O=S1(=O)CCC(c2noc(C3CSCCN3)n2)C1.
What is the InChIKey of 3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide?
The InChIKey is YJDHECITMOBQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S2/c14-18(15)4-1-7(6-18)9-12-10(16-13-9)8-5-17-3-2-11-8/h7-8,11H,1-6H2.
What are the key properties of 3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide?
3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide has a molecular weight of 289.38 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 82904778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).