3-(1,1-dioxothian-3-yl)imidazolidine-2,4-dione

C8H12N2O4S — CID 103936410

IUPAC3-(1,1-dioxothian-3-yl)imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C1CCCS(=O)(=O)C1
InChIInChI=1S/C8H12N2O4S/c11-7-4-9-8(12)10(7)6-2-1-3-15(13,14)5-6/h6H,1-5H2,(H,9,12)
InChIKeyDOLXPIPSVQHNGS-UHFFFAOYSA-N
MW232.26 g/mol
LogP-0.88
Rot. Bonds1

About 3-(1,1-dioxothian-3-yl)imidazolidine-2,4-dione

3-(1,1-dioxothian-3-yl)imidazolidine-2,4-dione (PubChem CID 103936410) has the molecular formula C8H12N2O4S and a molecular weight of 232.26 g/mol. Its IUPAC name is 3-(1,1-dioxothian-3-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(1,1-dioxothian-3-yl)imidazolidine-2,4-dione
PubChem CID103936410
Molecular FormulaC8H12N2O4S
Molecular Weight232.26 g/mol
Exact Mass232.05
IUPAC Name3-(1,1-dioxothian-3-yl)imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C1CCCS(=O)(=O)C1
InChIInChI=1S/C8H12N2O4S/c11-7-4-9-8(12)10(7)6-2-1-3-15(13,14)5-6/h6H,1-5H2,(H,9,12)
InChIKeyDOLXPIPSVQHNGS-UHFFFAOYSA-N
XLogP-0.88
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3R)-1,1-dioxothiolan-3-yl]imidazolidine-2,4-dione
CID 51721408
1-(1,1-dioxothian-3-yl)-1,3-diazinane-2,4,6-trione
CID 112598032
1-(1,1-dioxothian-3-yl)piperazine-2,5-dione
CID 64956222
3-(1,1-dioxothian-3-yl)-2-propan-2-ylimidazolidin-4-one
CID 83257943
3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidine-2,4-dione
CID 103936509
1-(1,1-dioxothian-3-yl)-3-methylpyrrole-2,5-dione
CID 63921778
3-(3-aminocyclopentyl)imidazolidine-2,4-dione
CID 83817207
1-(1,1-dioxothiolan-3-yl)imidazolidine-2,4,5-trione
CID 43131900
4-cyclopentyl-6,6-dioxo-1,2,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-3-one
CID 117005417
1-(1,1-dioxothian-3-yl)-2-sulfanylidenepyrimidin-4-one
CID 63922796
3-cyclohex-3-en-1-ylimidazolidine-2,4-dione
CID 103936459
1-(1,1-dioxothian-3-yl)-3-ethylpiperazine-2,5-dione
CID 64971573

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothian-3-yl)imidazolidine-2,4-dione?
The IUPAC name of 3-(1,1-dioxothian-3-yl)imidazolidine-2,4-dione (CID 103936410) is 3-(1,1-dioxothian-3-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(1,1-dioxothian-3-yl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(1,1-dioxothian-3-yl)imidazolidine-2,4-dione is O=C1CNC(=O)N1C1CCCS(=O)(=O)C1.
What is the InChIKey of 3-(1,1-dioxothian-3-yl)imidazolidine-2,4-dione?
The InChIKey is DOLXPIPSVQHNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S/c11-7-4-9-8(12)10(7)6-2-1-3-15(13,14)5-6/h6H,1-5H2,(H,9,12).
What are the key properties of 3-(1,1-dioxothian-3-yl)imidazolidine-2,4-dione?
3-(1,1-dioxothian-3-yl)imidazolidine-2,4-dione has a molecular weight of 232.26 g/mol, XLogP of -0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothian-3-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 103936410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).