8-phenyl-6λ6,10λ6-dithiaspiro[4.5]decane 6,6,10,10-tetraoxide

C14H18O4S2 — CID 6456049

IUPAC8-phenyl-6λ6,10λ6-dithiaspiro[4.5]decane 6,6,10,10-tetraoxide
SMILESO=S1(=O)CC(c2ccccc2)CS(=O)(=O)C12CCCC2
InChIInChI=1S/C14H18O4S2/c15-19(16)10-13(12-6-2-1-3-7-12)11-20(17,18)14(19)8-4-5-9-14/h1-3,6-7,13H,4-5,8-11H2
InChIKeyNMOXEURKQIWJFM-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.88
Rot. Bonds1

About 8-phenyl-6λ6,10λ6-dithiaspiro[4.5]decane 6,6,10,10-tetraoxide

8-phenyl-6λ6,10λ6-dithiaspiro[4.5]decane 6,6,10,10-tetraoxide (PubChem CID 6456049) has the molecular formula C14H18O4S2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 8-phenyl-6λ6,10λ6-dithiaspiro[4.5]decane 6,6,10,10-tetraoxide.

Molecular Properties

Compound Name8-phenyl-6λ6,10λ6-dithiaspiro[4.5]decane 6,6,10,10-tetraoxide
PubChem CID6456049
Molecular FormulaC14H18O4S2
Molecular Weight314.43 g/mol
Exact Mass314.06
IUPAC Name8-phenyl-6λ6,10λ6-dithiaspiro[4.5]decane 6,6,10,10-tetraoxide
SMILESO=S1(=O)CC(c2ccccc2)CS(=O)(=O)C12CCCC2
InChIInChI=1S/C14H18O4S2/c15-19(16)10-13(12-6-2-1-3-7-12)11-20(17,18)14(19)8-4-5-9-14/h1-3,6-7,13H,4-5,8-11H2
InChIKeyNMOXEURKQIWJFM-UHFFFAOYSA-N
XLogP1.88
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-6λ6,10λ6-dithiaspiro[4.5]decane 6,6,10,10-tetraoxide?
The IUPAC name of 8-phenyl-6λ6,10λ6-dithiaspiro[4.5]decane 6,6,10,10-tetraoxide (CID 6456049) is 8-phenyl-6λ6,10λ6-dithiaspiro[4.5]decane 6,6,10,10-tetraoxide.
What is the SMILES notation for 8-phenyl-6λ6,10λ6-dithiaspiro[4.5]decane 6,6,10,10-tetraoxide?
The canonical SMILES for 8-phenyl-6λ6,10λ6-dithiaspiro[4.5]decane 6,6,10,10-tetraoxide is O=S1(=O)CC(c2ccccc2)CS(=O)(=O)C12CCCC2.
What is the InChIKey of 8-phenyl-6λ6,10λ6-dithiaspiro[4.5]decane 6,6,10,10-tetraoxide?
The InChIKey is NMOXEURKQIWJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4S2/c15-19(16)10-13(12-6-2-1-3-7-12)11-20(17,18)14(19)8-4-5-9-14/h1-3,6-7,13H,4-5,8-11H2.
What are the key properties of 8-phenyl-6λ6,10λ6-dithiaspiro[4.5]decane 6,6,10,10-tetraoxide?
8-phenyl-6λ6,10λ6-dithiaspiro[4.5]decane 6,6,10,10-tetraoxide has a molecular weight of 314.43 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-6λ6,10λ6-dithiaspiro[4.5]decane 6,6,10,10-tetraoxide is sourced from PubChem (CID 6456049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).