3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5-dione

C9H12N2O2S — CID 3032275

IUPAC3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5-dione
SMILESO=C1NC(=S)NC(=O)C12CCCCC2
InChIInChI=1S/C9H12N2O2S/c12-6-9(4-2-1-3-5-9)7(13)11-8(14)10-6/h1-5H2,(H2,10,11,12,13,14)
InChIKeyXIOUPQUYEUYPAW-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.47
Rot. Bonds

About 3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5-dione

3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5-dione (PubChem CID 3032275) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5-dione.

Molecular Properties

Compound Name3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5-dione
PubChem CID3032275
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5-dione
SMILESO=C1NC(=S)NC(=O)C12CCCCC2
InChIInChI=1S/C9H12N2O2S/c12-6-9(4-2-1-3-5-9)7(13)11-8(14)10-6/h1-5H2,(H2,10,11,12,13,14)
InChIKeyXIOUPQUYEUYPAW-UHFFFAOYSA-N
XLogP0.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5-dione?
The IUPAC name of 3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5-dione (CID 3032275) is 3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5-dione.
What is the SMILES notation for 3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5-dione?
The canonical SMILES for 3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5-dione is O=C1NC(=S)NC(=O)C12CCCCC2.
What is the InChIKey of 3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5-dione?
The InChIKey is XIOUPQUYEUYPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c12-6-9(4-2-1-3-5-9)7(13)11-8(14)10-6/h1-5H2,(H2,10,11,12,13,14).
What are the key properties of 3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5-dione?
3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5-dione has a molecular weight of 212.27 g/mol, XLogP of 0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5-dione is sourced from PubChem (CID 3032275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).