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

C10H14N2O4S2 — CID 102565724

IUPAC3-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(Sc2nnc(C3CCCO3)o2)C1
InChIInChI=1S/C10H14N2O4S2/c13-18(14)5-3-7(6-18)17-10-12-11-9(16-10)8-2-1-4-15-8/h7-8H,1-6H2
InChIKeyFCJHUTBTHDPFJW-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.20
Rot. Bonds3

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

3-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]thiolane 1,1-dioxide (PubChem CID 102565724) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]thiolane 1,1-dioxide
PubChem CID102565724
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC Name3-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(Sc2nnc(C3CCCO3)o2)C1
InChIInChI=1S/C10H14N2O4S2/c13-18(14)5-3-7(6-18)17-10-12-11-9(16-10)8-2-1-4-15-8/h7-8H,1-6H2
InChIKeyFCJHUTBTHDPFJW-UHFFFAOYSA-N
XLogP1.20
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]thiolane 1,1-dioxide?
The IUPAC name of 3-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]thiolane 1,1-dioxide (CID 102565724) is 3-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]thiolane 1,1-dioxide is O=S1(=O)CCC(Sc2nnc(C3CCCO3)o2)C1.
What is the InChIKey of 3-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]thiolane 1,1-dioxide?
The InChIKey is FCJHUTBTHDPFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c13-18(14)5-3-7(6-18)17-10-12-11-9(16-10)8-2-1-4-15-8/h7-8H,1-6H2.
What are the key properties of 3-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]thiolane 1,1-dioxide?
3-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]thiolane 1,1-dioxide has a molecular weight of 290.37 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]thiolane 1,1-dioxide is sourced from PubChem (CID 102565724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).