5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one

C7H11NO3S — CID 90016475

IUPAC5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one
SMILESO=C1NCCS(=O)(=O)C12CCC2
InChIInChI=1S/C7H11NO3S/c9-6-7(2-1-3-7)12(10,11)5-4-8-6/h1-5H2,(H,8,9)
InChIKeyAVPFDVYLYCECFX-UHFFFAOYSA-N
MW189.24 g/mol
LogP-0.55
Rot. Bonds

About 5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one

5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one (PubChem CID 90016475) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one.

Molecular Properties

Compound Name5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one
PubChem CID90016475
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one
SMILESO=C1NCCS(=O)(=O)C12CCC2
InChIInChI=1S/C7H11NO3S/c9-6-7(2-1-3-7)12(10,11)5-4-8-6/h1-5H2,(H,8,9)
InChIKeyAVPFDVYLYCECFX-UHFFFAOYSA-N
XLogP-0.55
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one?
The IUPAC name of 5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one (CID 90016475) is 5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one.
What is the SMILES notation for 5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one?
The canonical SMILES for 5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one is O=C1NCCS(=O)(=O)C12CCC2.
What is the InChIKey of 5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one?
The InChIKey is AVPFDVYLYCECFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c9-6-7(2-1-3-7)12(10,11)5-4-8-6/h1-5H2,(H,8,9).
What are the key properties of 5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one?
5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one has a molecular weight of 189.24 g/mol, XLogP of -0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one is sourced from PubChem (CID 90016475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).