4,4-dimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione

C11H17NO2S — CID 79947309

IUPAC4,4-dimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione
SMILESCC1(C)CSCC2(CC(=O)NC(=O)C2)C1
InChIInChI=1S/C11H17NO2S/c1-10(2)5-11(7-15-6-10)3-8(13)12-9(14)4-11/h3-7H2,1-2H3,(H,12,13,14)
InChIKeyVAXWIYJXCPUNTC-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.57
Rot. Bonds

About 4,4-dimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione

4,4-dimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione (PubChem CID 79947309) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 4,4-dimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione.

Molecular Properties

Compound Name4,4-dimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione
PubChem CID79947309
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name4,4-dimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione
SMILESCC1(C)CSCC2(CC(=O)NC(=O)C2)C1
InChIInChI=1S/C11H17NO2S/c1-10(2)5-11(7-15-6-10)3-8(13)12-9(14)4-11/h3-7H2,1-2H3,(H,12,13,14)
InChIKeyVAXWIYJXCPUNTC-UHFFFAOYSA-N
XLogP1.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione?
The IUPAC name of 4,4-dimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione (CID 79947309) is 4,4-dimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione.
What is the SMILES notation for 4,4-dimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione?
The canonical SMILES for 4,4-dimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione is CC1(C)CSCC2(CC(=O)NC(=O)C2)C1.
What is the InChIKey of 4,4-dimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione?
The InChIKey is VAXWIYJXCPUNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-10(2)5-11(7-15-6-10)3-8(13)12-9(14)4-11/h3-7H2,1-2H3,(H,12,13,14).
What are the key properties of 4,4-dimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione?
4,4-dimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione has a molecular weight of 227.33 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione is sourced from PubChem (CID 79947309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).