7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonane-9-thione

C8H13NO2S2 — CID 138718197

IUPAC7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonane-9-thione
SMILESCC1CS(=O)(=O)C2(CCC2)C(=S)N1
InChIInChI=1S/C8H13NO2S2/c1-6-5-13(10,11)8(3-2-4-8)7(12)9-6/h6H,2-5H2,1H3,(H,9,12)
InChIKeyJLGWAICFGWOXHI-UHFFFAOYSA-N
MW219.33 g/mol
LogP0.64
Rot. Bonds

About 7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonane-9-thione

7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonane-9-thione (PubChem CID 138718197) has the molecular formula C8H13NO2S2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonane-9-thione.

Molecular Properties

Compound Name7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonane-9-thione
PubChem CID138718197
Molecular FormulaC8H13NO2S2
Molecular Weight219.33 g/mol
Exact Mass219.04
IUPAC Name7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonane-9-thione
SMILESCC1CS(=O)(=O)C2(CCC2)C(=S)N1
InChIInChI=1S/C8H13NO2S2/c1-6-5-13(10,11)8(3-2-4-8)7(12)9-6/h6H,2-5H2,1H3,(H,9,12)
InChIKeyJLGWAICFGWOXHI-UHFFFAOYSA-N
XLogP0.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonane-9-thione?
The IUPAC name of 7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonane-9-thione (CID 138718197) is 7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonane-9-thione.
What is the SMILES notation for 7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonane-9-thione?
The canonical SMILES for 7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonane-9-thione is CC1CS(=O)(=O)C2(CCC2)C(=S)N1.
What is the InChIKey of 7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonane-9-thione?
The InChIKey is JLGWAICFGWOXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S2/c1-6-5-13(10,11)8(3-2-4-8)7(12)9-6/h6H,2-5H2,1H3,(H,9,12).
What are the key properties of 7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonane-9-thione?
7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonane-9-thione has a molecular weight of 219.33 g/mol, XLogP of 0.64, 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]nonane-9-thione is sourced from PubChem (CID 138718197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).