5-ethyl-1,3,5-trimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

C9H14N2O2S — CID 15532914

IUPAC5-ethyl-1,3,5-trimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILESCCC1(C)C(=O)N(C)C(=S)N(C)C1=O
InChIInChI=1S/C9H14N2O2S/c1-5-9(2)6(12)10(3)8(14)11(4)7(9)13/h5H2,1-4H3
InChIKeyUGLWJIYLUHJAKQ-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.62
Rot. Bonds1

About 5-ethyl-1,3,5-trimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

5-ethyl-1,3,5-trimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione (PubChem CID 15532914) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 5-ethyl-1,3,5-trimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Name5-ethyl-1,3,5-trimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
PubChem CID15532914
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name5-ethyl-1,3,5-trimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILESCCC1(C)C(=O)N(C)C(=S)N(C)C1=O
InChIInChI=1S/C9H14N2O2S/c1-5-9(2)6(12)10(3)8(14)11(4)7(9)13/h5H2,1-4H3
InChIKeyUGLWJIYLUHJAKQ-UHFFFAOYSA-N
XLogP0.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.62
H-Bond Donors ≤ 50
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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Related Compounds

1,3,5,5-tetramethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 12636592
3-ethyl-1,3-dimethylindol-2-one
CID 14449303
5-dodecyl-5-hydroxy-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 101170696
(3-tert-butyl-5-ethyl-1,5-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)cobalt
CID 144521521
3-ethyl-1,3-dimethylpyrrolo[2,3-b]pyridin-2-one
CID 134840605
7-chloro-3-ethyl-1,3-dimethylindol-2-one
CID 121011616
4-ethyl-2,4-dimethylbenzo[g]isoquinoline-1,3-dione
CID 135032468
1-ethyl-1,3-dimethylbenzo[f]isoquinoline-2,4-dione
CID 135033343
(4Z,9Z,14Z,19Z)-2,7,12,17-tetraethyl-2,7,12,17-tetramethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone
CID 45053186
2-ethyl-2-methylcyclopentane-1,3-dione
CID 574386
(3R)-3-ethyl-5-(4-fluorophenyl)-1,3-dimethylindol-2-one
CID 53327849
5-cyclohexa-2,4-dien-1-yl-1,3,5-trimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 15532916

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3,5-trimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The IUPAC name of 5-ethyl-1,3,5-trimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CID 15532914) is 5-ethyl-1,3,5-trimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
What is the SMILES notation for 5-ethyl-1,3,5-trimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The canonical SMILES for 5-ethyl-1,3,5-trimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione is CCC1(C)C(=O)N(C)C(=S)N(C)C1=O.
What is the InChIKey of 5-ethyl-1,3,5-trimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The InChIKey is UGLWJIYLUHJAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-5-9(2)6(12)10(3)8(14)11(4)7(9)13/h5H2,1-4H3.
What are the key properties of 5-ethyl-1,3,5-trimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
5-ethyl-1,3,5-trimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione has a molecular weight of 214.29 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3,5-trimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione is sourced from PubChem (CID 15532914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).