5,5,11-trimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione

C12H19NO2S — CID 79955836

IUPAC5,5,11-trimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione
SMILESCC1C(=O)NC(=O)CC12CSCCC2(C)C
InChIInChI=1S/C12H19NO2S/c1-8-10(15)13-9(14)6-12(8)7-16-5-4-11(12,2)3/h8H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyXHVSOULYZRORDV-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.82
Rot. Bonds

About 5,5,11-trimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione

5,5,11-trimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione (PubChem CID 79955836) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 5,5,11-trimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione.

Molecular Properties

Compound Name5,5,11-trimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione
PubChem CID79955836
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name5,5,11-trimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione
SMILESCC1C(=O)NC(=O)CC12CSCCC2(C)C
InChIInChI=1S/C12H19NO2S/c1-8-10(15)13-9(14)6-12(8)7-16-5-4-11(12,2)3/h8H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyXHVSOULYZRORDV-UHFFFAOYSA-N
XLogP1.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.82
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 5,5,11-trimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione?
The IUPAC name of 5,5,11-trimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione (CID 79955836) is 5,5,11-trimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione.
What is the SMILES notation for 5,5,11-trimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione?
The canonical SMILES for 5,5,11-trimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione is CC1C(=O)NC(=O)CC12CSCCC2(C)C.
What is the InChIKey of 5,5,11-trimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione?
The InChIKey is XHVSOULYZRORDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-8-10(15)13-9(14)6-12(8)7-16-5-4-11(12,2)3/h8H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 5,5,11-trimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione?
5,5,11-trimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione has a molecular weight of 241.36 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,11-trimethyl-2-thia-9-azaspiro[5.5]undecane-8,10-dione is sourced from PubChem (CID 79955836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).