11-ethyl-2,2-dioxo-2λ6-thia-9-azaspiro[5.5]undecane-8,10-dione

C11H17NO4S — CID 79320480

IUPAC11-ethyl-2,2-dioxo-2λ6-thia-9-azaspiro[5.5]undecane-8,10-dione
SMILESCCC1C(=O)NC(=O)CC12CCCS(=O)(=O)C2
InChIInChI=1S/C11H17NO4S/c1-2-8-10(14)12-9(13)6-11(8)4-3-5-17(15,16)7-11/h8H,2-7H2,1H3,(H,12,13,14)
InChIKeyFTCZVWSMLOPENK-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.25
Rot. Bonds1

About 11-ethyl-2,2-dioxo-2λ6-thia-9-azaspiro[5.5]undecane-8,10-dione

11-ethyl-2,2-dioxo-2λ6-thia-9-azaspiro[5.5]undecane-8,10-dione (PubChem CID 79320480) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is 11-ethyl-2,2-dioxo-2λ6-thia-9-azaspiro[5.5]undecane-8,10-dione.

Molecular Properties

Compound Name11-ethyl-2,2-dioxo-2λ6-thia-9-azaspiro[5.5]undecane-8,10-dione
PubChem CID79320480
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC Name11-ethyl-2,2-dioxo-2λ6-thia-9-azaspiro[5.5]undecane-8,10-dione
SMILESCCC1C(=O)NC(=O)CC12CCCS(=O)(=O)C2
InChIInChI=1S/C11H17NO4S/c1-2-8-10(14)12-9(13)6-11(8)4-3-5-17(15,16)7-11/h8H,2-7H2,1H3,(H,12,13,14)
InChIKeyFTCZVWSMLOPENK-UHFFFAOYSA-N
XLogP0.25
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 11-ethyl-2,2-dioxo-2λ6-thia-9-azaspiro[5.5]undecane-8,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-ethyl-2,2-dioxo-2λ6-thia-9-azaspiro[5.5]undecane-8,10-dione?
The IUPAC name of 11-ethyl-2,2-dioxo-2λ6-thia-9-azaspiro[5.5]undecane-8,10-dione (CID 79320480) is 11-ethyl-2,2-dioxo-2λ6-thia-9-azaspiro[5.5]undecane-8,10-dione.
What is the SMILES notation for 11-ethyl-2,2-dioxo-2λ6-thia-9-azaspiro[5.5]undecane-8,10-dione?
The canonical SMILES for 11-ethyl-2,2-dioxo-2λ6-thia-9-azaspiro[5.5]undecane-8,10-dione is CCC1C(=O)NC(=O)CC12CCCS(=O)(=O)C2.
What is the InChIKey of 11-ethyl-2,2-dioxo-2λ6-thia-9-azaspiro[5.5]undecane-8,10-dione?
The InChIKey is FTCZVWSMLOPENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-2-8-10(14)12-9(13)6-11(8)4-3-5-17(15,16)7-11/h8H,2-7H2,1H3,(H,12,13,14).
What are the key properties of 11-ethyl-2,2-dioxo-2λ6-thia-9-azaspiro[5.5]undecane-8,10-dione?
11-ethyl-2,2-dioxo-2λ6-thia-9-azaspiro[5.5]undecane-8,10-dione has a molecular weight of 259.33 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethyl-2,2-dioxo-2λ6-thia-9-azaspiro[5.5]undecane-8,10-dione is sourced from PubChem (CID 79320480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).