4,4-dioxo-4λ6-thiaspiro[2.5]octan-8-one

C7H10O3S — CID 169147628

IUPAC4,4-dioxo-4λ6-thiaspiro[2.5]octan-8-one
SMILESO=C1CCCS(=O)(=O)C12CC2
InChIInChI=1S/C7H10O3S/c8-6-2-1-5-11(9,10)7(6)3-4-7/h1-5H2
InChIKeyPJLYKWKWJNFFTO-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.30
Rot. Bonds

About 4,4-dioxo-4λ6-thiaspiro[2.5]octan-8-one

4,4-dioxo-4λ6-thiaspiro[2.5]octan-8-one (PubChem CID 169147628) has the molecular formula C7H10O3S and a molecular weight of 174.22 g/mol. Its IUPAC name is 4,4-dioxo-4λ6-thiaspiro[2.5]octan-8-one.

Molecular Properties

Compound Name4,4-dioxo-4λ6-thiaspiro[2.5]octan-8-one
PubChem CID169147628
Molecular FormulaC7H10O3S
Molecular Weight174.22 g/mol
Exact Mass174.04
IUPAC Name4,4-dioxo-4λ6-thiaspiro[2.5]octan-8-one
SMILESO=C1CCCS(=O)(=O)C12CC2
InChIInChI=1S/C7H10O3S/c8-6-2-1-5-11(9,10)7(6)3-4-7/h1-5H2
InChIKeyPJLYKWKWJNFFTO-UHFFFAOYSA-N
XLogP0.30
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dioxo-4λ6-thiaspiro[2.5]octan-8-one?
The IUPAC name of 4,4-dioxo-4λ6-thiaspiro[2.5]octan-8-one (CID 169147628) is 4,4-dioxo-4λ6-thiaspiro[2.5]octan-8-one.
What is the SMILES notation for 4,4-dioxo-4λ6-thiaspiro[2.5]octan-8-one?
The canonical SMILES for 4,4-dioxo-4λ6-thiaspiro[2.5]octan-8-one is O=C1CCCS(=O)(=O)C12CC2.
What is the InChIKey of 4,4-dioxo-4λ6-thiaspiro[2.5]octan-8-one?
The InChIKey is PJLYKWKWJNFFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3S/c8-6-2-1-5-11(9,10)7(6)3-4-7/h1-5H2.
What are the key properties of 4,4-dioxo-4λ6-thiaspiro[2.5]octan-8-one?
4,4-dioxo-4λ6-thiaspiro[2.5]octan-8-one has a molecular weight of 174.22 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dioxo-4λ6-thiaspiro[2.5]octan-8-one is sourced from PubChem (CID 169147628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).