1,3-diethyl-5-prop-2-enylidene-2-sulfanylidene-1,3-diazinane-4,6-dione

C11H14N2O2S — CID 15799910

IUPAC1,3-diethyl-5-prop-2-enylidene-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILESC=CC=C1C(=O)N(CC)C(=S)N(CC)C1=O
InChIInChI=1S/C11H14N2O2S/c1-4-7-8-9(14)12(5-2)11(16)13(6-3)10(8)15/h4,7H,1,5-6H2,2-3H3
InChIKeyNCBLUDUORYPHFH-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.09
Rot. Bonds3

About 1,3-diethyl-5-prop-2-enylidene-2-sulfanylidene-1,3-diazinane-4,6-dione

1,3-diethyl-5-prop-2-enylidene-2-sulfanylidene-1,3-diazinane-4,6-dione (PubChem CID 15799910) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 1,3-diethyl-5-prop-2-enylidene-2-sulfanylidene-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Name1,3-diethyl-5-prop-2-enylidene-2-sulfanylidene-1,3-diazinane-4,6-dione
PubChem CID15799910
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name1,3-diethyl-5-prop-2-enylidene-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILESC=CC=C1C(=O)N(CC)C(=S)N(CC)C1=O
InChIInChI=1S/C11H14N2O2S/c1-4-7-8-9(14)12(5-2)11(16)13(6-3)10(8)15/h4,7H,1,5-6H2,2-3H3
InChIKeyNCBLUDUORYPHFH-UHFFFAOYSA-N
XLogP1.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1,3-diethyl-5-prop-2-enylidene-2-sulfanylidene-1,3-diazinane-4,6-dione with MolForge

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

Launch Full Analysis

Related Compounds

1,3-diethyl-5-methylidene-2-sulfanylidene-1,3-diazinane-4,6-dione;propane;hydrate
CID 142205447
1,3-diethyl-5-[3-(2-methylphenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 78092278
5-[(E)-3-[4-(dimethylamino)cyclohexyl]prop-2-enylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 140667925
5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 6245353
5-[2-[1-(2,3-dihydroxypropyl)-4-pyridinylidene]ethylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 101102357
5-[(2E,4E)-5-(1,3-diethyl-4-hydroxy-6-oxo-2-sulfanylidenepyrimidin-5-yl)penta-2,4-dienylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 10139620
5-[(2E,4E,6E)-7-(1,3-diethyl-4-hydroxy-6-oxo-2-sulfanylidenepyrimidin-5-yl)hepta-2,4,6-trienylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 22967665
5-[(E)-3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)prop-2-enylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 102246440
1,3-diethyl-5-[2-(6-methylpyrido[1,2-f]phenanthridin-8-ylidene)ethylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 151947056
5-[(2E)-2-(10,10-dimethylpyrido[1,2-a]indol-6-ylidene)ethylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 21483463
1,3-diethyl-5-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 59065440
(4E)-1-[(2S)-2-aminopropyl]-3-methylidene-4-prop-2-enylidenepyrrolidine-2,5-dione
CID 145077824

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-prop-2-enylidene-2-sulfanylidene-1,3-diazinane-4,6-dione?
The IUPAC name of 1,3-diethyl-5-prop-2-enylidene-2-sulfanylidene-1,3-diazinane-4,6-dione (CID 15799910) is 1,3-diethyl-5-prop-2-enylidene-2-sulfanylidene-1,3-diazinane-4,6-dione.
What is the SMILES notation for 1,3-diethyl-5-prop-2-enylidene-2-sulfanylidene-1,3-diazinane-4,6-dione?
The canonical SMILES for 1,3-diethyl-5-prop-2-enylidene-2-sulfanylidene-1,3-diazinane-4,6-dione is C=CC=C1C(=O)N(CC)C(=S)N(CC)C1=O.
What is the InChIKey of 1,3-diethyl-5-prop-2-enylidene-2-sulfanylidene-1,3-diazinane-4,6-dione?
The InChIKey is NCBLUDUORYPHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-4-7-8-9(14)12(5-2)11(16)13(6-3)10(8)15/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 1,3-diethyl-5-prop-2-enylidene-2-sulfanylidene-1,3-diazinane-4,6-dione?
1,3-diethyl-5-prop-2-enylidene-2-sulfanylidene-1,3-diazinane-4,6-dione has a molecular weight of 238.31 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-prop-2-enylidene-2-sulfanylidene-1,3-diazinane-4,6-dione is sourced from PubChem (CID 15799910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).