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

C8H13NO3S — CID 138718195

IUPAC7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one
SMILESCC1CS(=O)(=O)C2(CCC2)C(=O)N1
InChIInChI=1S/C8H13NO3S/c1-6-5-13(11,12)8(3-2-4-8)7(10)9-6/h6H,2-5H2,1H3,(H,9,10)
InChIKeyWIHOADSHZNDMNH-UHFFFAOYSA-N
MW203.26 g/mol
LogP-0.16
Rot. Bonds

About 7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one

7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one (PubChem CID 138718195) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one.

Molecular Properties

Compound Name7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one
PubChem CID138718195
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one
SMILESCC1CS(=O)(=O)C2(CCC2)C(=O)N1
InChIInChI=1S/C8H13NO3S/c1-6-5-13(11,12)8(3-2-4-8)7(10)9-6/h6H,2-5H2,1H3,(H,9,10)
InChIKeyWIHOADSHZNDMNH-UHFFFAOYSA-N
XLogP-0.16
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one?
The IUPAC name of 7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one (CID 138718195) is 7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one.
What is the SMILES notation for 7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one?
The canonical SMILES for 7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one is CC1CS(=O)(=O)C2(CCC2)C(=O)N1.
What is the InChIKey of 7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one?
The InChIKey is WIHOADSHZNDMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-6-5-13(11,12)8(3-2-4-8)7(10)9-6/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one?
7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one has a molecular weight of 203.26 g/mol, XLogP of -0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-9-one is sourced from PubChem (CID 138718195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).