1-(1,1-dioxothiolan-3-yl)imidazolidine-2,4,5-trione

C7H8N2O5S — CID 43131900

IUPAC1-(1,1-dioxothiolan-3-yl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(C2CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C7H8N2O5S/c10-5-6(11)9(7(12)8-5)4-1-2-15(13,14)3-4/h4H,1-3H2,(H,8,10,12)
InChIKeyYKMXWWNVVFTAQV-UHFFFAOYSA-N
MW232.22 g/mol
LogP-1.75
Rot. Bonds1

About 1-(1,1-dioxothiolan-3-yl)imidazolidine-2,4,5-trione

1-(1,1-dioxothiolan-3-yl)imidazolidine-2,4,5-trione (PubChem CID 43131900) has the molecular formula C7H8N2O5S and a molecular weight of 232.22 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)imidazolidine-2,4,5-trione
PubChem CID43131900
Molecular FormulaC7H8N2O5S
Molecular Weight232.22 g/mol
Exact Mass232.02
IUPAC Name1-(1,1-dioxothiolan-3-yl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(C2CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C7H8N2O5S/c10-5-6(11)9(7(12)8-5)4-1-2-15(13,14)3-4/h4H,1-3H2,(H,8,10,12)
InChIKeyYKMXWWNVVFTAQV-UHFFFAOYSA-N
XLogP-1.75
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 5-1.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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-(azetidin-3-yl)imidazolidine-2,4,5-trione
CID 121208937
3-(1,1-dioxothian-3-yl)imidazolidine-2,4-dione
CID 103936410
(1R,2R,6S,7R)-4-[(3R)-1,1-dioxothiolan-3-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98104696
8-(1,1-dioxothiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 62739939
1-(1,1-dioxothian-3-yl)-3-methylpyrrole-2,5-dione
CID 63921778
1-(1,1-dioxothiolan-3-yl)-4-methylpiperazine-2,3-dione
CID 117026380
2-[(3R)-1,1-dioxothiolan-3-yl]-1,3-dioxoisoindole-5-carboxylic acid
CID 51887690
2-(1,1-dioxothiolan-3-yl)-1H-pyridazine-3,6-dione
CID 3655322
1-(1,1-dioxothiolan-3-yl)pyrrolidine-2,4-dione
CID 79517072
9-(1,1-dioxothiolan-3-yl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64957014

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)imidazolidine-2,4,5-trione (CID 43131900) is 1-(1,1-dioxothiolan-3-yl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)imidazolidine-2,4,5-trione is O=C1NC(=O)N(C2CCS(=O)(=O)C2)C1=O.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)imidazolidine-2,4,5-trione?
The InChIKey is YKMXWWNVVFTAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O5S/c10-5-6(11)9(7(12)8-5)4-1-2-15(13,14)3-4/h4H,1-3H2,(H,8,10,12).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)imidazolidine-2,4,5-trione?
1-(1,1-dioxothiolan-3-yl)imidazolidine-2,4,5-trione has a molecular weight of 232.22 g/mol, XLogP of -1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 43131900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).