1-(2-prop-2-enylsulfanylethyl)imidazolidine-2,4-dione

C8H12N2O2S — CID 106433144

IUPAC1-(2-prop-2-enylsulfanylethyl)imidazolidine-2,4-dione
SMILESC=CCSCCN1CC(=O)NC1=O
InChIInChI=1S/C8H12N2O2S/c1-2-4-13-5-3-10-6-7(11)9-8(10)12/h2H,1,3-6H2,(H,9,11,12)
InChIKeyHVKFEAMCJSXLLN-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.46
Rot. Bonds5

About 1-(2-prop-2-enylsulfanylethyl)imidazolidine-2,4-dione

1-(2-prop-2-enylsulfanylethyl)imidazolidine-2,4-dione (PubChem CID 106433144) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 1-(2-prop-2-enylsulfanylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(2-prop-2-enylsulfanylethyl)imidazolidine-2,4-dione
PubChem CID106433144
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name1-(2-prop-2-enylsulfanylethyl)imidazolidine-2,4-dione
SMILESC=CCSCCN1CC(=O)NC1=O
InChIInChI=1S/C8H12N2O2S/c1-2-4-13-5-3-10-6-7(11)9-8(10)12/h2H,1,3-6H2,(H,9,11,12)
InChIKeyHVKFEAMCJSXLLN-UHFFFAOYSA-N
XLogP0.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-sulfanylethyl)imidazolidine-2,4-dione
CID 168970418
1-(2-aminoethyl)imidazolidine-2,4-dione;hydrochloride
CID 171692224
1-(3-chloropropyl)imidazolidine-2,4-dione
CID 118050354
1-(2-propoxyethyl)imidazolidine-2,4-dione
CID 106458141
1-(2-chloroprop-2-enyl)imidazolidine-2,4-dione
CID 15406720
5-(2,4-dioxoimidazolidin-1-yl)-2,2-dimethylpentanenitrile
CID 65254881
3,6-diethyl-3-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine-2,5-dione
CID 106432836
2-(2,4-dioxoimidazolidin-1-yl)acetate
CID 7219893
1-(2-prop-2-enylsulfanylethyl)-2-tetradecyl-4,5-dihydroimidazole
CID 139774138
1-[2-(1-methylimidazol-2-yl)ethyl]imidazolidine-2,4-dione
CID 114531954
4-[3-(2,4-dioxoimidazolidin-1-yl)propoxy]benzaldehyde
CID 167995684
1-(2-ethylbutyl)imidazolidine-2,4-dione
CID 82925481

Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-enylsulfanylethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-(2-prop-2-enylsulfanylethyl)imidazolidine-2,4-dione (CID 106433144) is 1-(2-prop-2-enylsulfanylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(2-prop-2-enylsulfanylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(2-prop-2-enylsulfanylethyl)imidazolidine-2,4-dione is C=CCSCCN1CC(=O)NC1=O.
What is the InChIKey of 1-(2-prop-2-enylsulfanylethyl)imidazolidine-2,4-dione?
The InChIKey is HVKFEAMCJSXLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-2-4-13-5-3-10-6-7(11)9-8(10)12/h2H,1,3-6H2,(H,9,11,12).
What are the key properties of 1-(2-prop-2-enylsulfanylethyl)imidazolidine-2,4-dione?
1-(2-prop-2-enylsulfanylethyl)imidazolidine-2,4-dione has a molecular weight of 200.26 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enylsulfanylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 106433144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).