5-methyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-one

C7H11NO3S — CID 99989118

IUPAC5-methyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-one
SMILESCN1C2(CCC2)C(=O)CS1(=O)=O
InChIInChI=1S/C7H11NO3S/c1-8-7(3-2-4-7)6(9)5-12(8,10)11/h2-5H2,1H3
InChIKeyVUMIXANUTKZFQL-UHFFFAOYSA-N
MW189.24 g/mol
LogP-0.25
Rot. Bonds

About 5-methyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-one

5-methyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-one (PubChem CID 99989118) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 5-methyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-one.

Molecular Properties

Compound Name5-methyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-one
PubChem CID99989118
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name5-methyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-one
SMILESCN1C2(CCC2)C(=O)CS1(=O)=O
InChIInChI=1S/C7H11NO3S/c1-8-7(3-2-4-7)6(9)5-12(8,10)11/h2-5H2,1H3
InChIKeyVUMIXANUTKZFQL-UHFFFAOYSA-N
XLogP-0.25
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-one?
The IUPAC name of 5-methyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-one (CID 99989118) is 5-methyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-one.
What is the SMILES notation for 5-methyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-one?
The canonical SMILES for 5-methyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-one is CN1C2(CCC2)C(=O)CS1(=O)=O.
What is the InChIKey of 5-methyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-one?
The InChIKey is VUMIXANUTKZFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c1-8-7(3-2-4-7)6(9)5-12(8,10)11/h2-5H2,1H3.
What are the key properties of 5-methyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-one?
5-methyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-one has a molecular weight of 189.24 g/mol, XLogP of -0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-one is sourced from PubChem (CID 99989118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).