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

C7H8N2O2S — CID 4680274

IUPAC5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILESC=CCC1C(=O)NC(=S)NC1=O
InChIInChI=1S/C7H8N2O2S/c1-2-3-4-5(10)8-7(12)9-6(4)11/h2,4H,1,3H2,(H2,8,9,10,11,12)
InChIKeyKHFMMPKYJXUENP-UHFFFAOYSA-N
MW184.22 g/mol
LogP-0.29
Rot. Bonds2

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

5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione (PubChem CID 4680274) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is 5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Name5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
PubChem CID4680274
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILESC=CCC1C(=O)NC(=S)NC1=O
InChIInChI=1S/C7H8N2O2S/c1-2-3-4-5(10)8-7(12)9-6(4)11/h2,4H,1,3H2,(H2,8,9,10,11,12)
InChIKeyKHFMMPKYJXUENP-UHFFFAOYSA-N
XLogP-0.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 5-0.29
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'}

Analyze 5-prop-2-enyl-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

5-(2-Propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 17376
2-Triobarbituric acid, 5-allyl-5-ethyl-
CID 3409334
Barbituric acid, 5,5-diallyl-2-thio-
CID 3033306
Sodium diallyl thiobarbiturate
CID 23715944
5-Propan-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3033311
5-But-3-en-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3033361
5-But-3-en-2-yl-5-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3033380
5-Prop-1-en-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 4011102
5-ethyl-5-[(E)-3-methylbut-1-enyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 5381670
Sodium 5-(2-propen-1-yl)-barbiturate
CID 53471053
Sodium;hydride;5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 173611704
5-[(E)-but-2-enoyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 176348816

Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The IUPAC name of 5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CID 4680274) is 5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
What is the SMILES notation for 5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The canonical SMILES for 5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione is C=CCC1C(=O)NC(=S)NC1=O.
What is the InChIKey of 5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The InChIKey is KHFMMPKYJXUENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c1-2-3-4-5(10)8-7(12)9-6(4)11/h2,4H,1,3H2,(H2,8,9,10,11,12).
What are the key properties of 5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione has a molecular weight of 184.22 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione is sourced from PubChem (CID 4680274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).