11-methyl-3-sulfanylidene-2,4-diazaspiro[5.5]undec-8-ene-1,5-dione

C10H12N2O2S — CID 3034590

IUPAC11-methyl-3-sulfanylidene-2,4-diazaspiro[5.5]undec-8-ene-1,5-dione
SMILESCC1CC=CCC12C(=O)NC(=S)NC2=O
InChIInChI=1S/C10H12N2O2S/c1-6-4-2-3-5-10(6)7(13)11-9(15)12-8(10)14/h2-3,6H,4-5H2,1H3,(H2,11,12,13,14,15)
InChIKeyNUIUTZSHXPDKMY-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.49
Rot. Bonds

About 11-methyl-3-sulfanylidene-2,4-diazaspiro[5.5]undec-8-ene-1,5-dione

11-methyl-3-sulfanylidene-2,4-diazaspiro[5.5]undec-8-ene-1,5-dione (PubChem CID 3034590) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 11-methyl-3-sulfanylidene-2,4-diazaspiro[5.5]undec-8-ene-1,5-dione.

Molecular Properties

Compound Name11-methyl-3-sulfanylidene-2,4-diazaspiro[5.5]undec-8-ene-1,5-dione
PubChem CID3034590
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name11-methyl-3-sulfanylidene-2,4-diazaspiro[5.5]undec-8-ene-1,5-dione
SMILESCC1CC=CCC12C(=O)NC(=S)NC2=O
InChIInChI=1S/C10H12N2O2S/c1-6-4-2-3-5-10(6)7(13)11-9(15)12-8(10)14/h2-3,6H,4-5H2,1H3,(H2,11,12,13,14,15)
InChIKeyNUIUTZSHXPDKMY-UHFFFAOYSA-N
XLogP0.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-3-sulfanylidene-2,4-diazaspiro[5.5]undec-8-ene-1,5-dione?
The IUPAC name of 11-methyl-3-sulfanylidene-2,4-diazaspiro[5.5]undec-8-ene-1,5-dione (CID 3034590) is 11-methyl-3-sulfanylidene-2,4-diazaspiro[5.5]undec-8-ene-1,5-dione.
What is the SMILES notation for 11-methyl-3-sulfanylidene-2,4-diazaspiro[5.5]undec-8-ene-1,5-dione?
The canonical SMILES for 11-methyl-3-sulfanylidene-2,4-diazaspiro[5.5]undec-8-ene-1,5-dione is CC1CC=CCC12C(=O)NC(=S)NC2=O.
What is the InChIKey of 11-methyl-3-sulfanylidene-2,4-diazaspiro[5.5]undec-8-ene-1,5-dione?
The InChIKey is NUIUTZSHXPDKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-6-4-2-3-5-10(6)7(13)11-9(15)12-8(10)14/h2-3,6H,4-5H2,1H3,(H2,11,12,13,14,15).
What are the key properties of 11-methyl-3-sulfanylidene-2,4-diazaspiro[5.5]undec-8-ene-1,5-dione?
11-methyl-3-sulfanylidene-2,4-diazaspiro[5.5]undec-8-ene-1,5-dione has a molecular weight of 224.28 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-3-sulfanylidene-2,4-diazaspiro[5.5]undec-8-ene-1,5-dione is sourced from PubChem (CID 3034590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).