(8R)-8-ethyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide

C8H14O3S — CID 167079530

IUPAC(8R)-8-ethyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide
SMILESCC[C@H]1CS(=O)(=O)CC12COC2
InChIInChI=1S/C8H14O3S/c1-2-7-3-12(9,10)6-8(7)4-11-5-8/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyCFXHUHPGOHQAQZ-ZETCQYMHSA-N
MW190.26 g/mol
LogP0.46
Rot. Bonds1

About (8R)-8-ethyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide

(8R)-8-ethyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide (PubChem CID 167079530) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is (8R)-8-ethyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide.

Molecular Properties

Compound Name(8R)-8-ethyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide
PubChem CID167079530
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name(8R)-8-ethyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide
SMILESCC[C@H]1CS(=O)(=O)CC12COC2
InChIInChI=1S/C8H14O3S/c1-2-7-3-12(9,10)6-8(7)4-11-5-8/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyCFXHUHPGOHQAQZ-ZETCQYMHSA-N
XLogP0.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-ethyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide?
The IUPAC name of (8R)-8-ethyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide (CID 167079530) is (8R)-8-ethyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide.
What is the SMILES notation for (8R)-8-ethyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide?
The canonical SMILES for (8R)-8-ethyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide is CC[C@H]1CS(=O)(=O)CC12COC2.
What is the InChIKey of (8R)-8-ethyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide?
The InChIKey is CFXHUHPGOHQAQZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14O3S/c1-2-7-3-12(9,10)6-8(7)4-11-5-8/h7H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (8R)-8-ethyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide?
(8R)-8-ethyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide has a molecular weight of 190.26 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-ethyl-2-oxa-6λ6-thiaspiro[3.4]octane 6,6-dioxide is sourced from PubChem (CID 167079530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).