[2-(2,5-dioxoimidazolidin-4-yl)ethyl-dimethyl-λ4-sulfanyl] methyl sulfate

C8H16N2O6S2 — CID 134995074

IUPAC[2-(2,5-dioxoimidazolidin-4-yl)ethyl-dimethyl-λ4-sulfanyl] methyl sulfate
SMILESCOS(=O)(=O)OS(C)(C)CCC1NC(=O)NC1=O
InChIInChI=1S/C8H16N2O6S2/c1-15-18(13,14)16-17(2,3)5-4-6-7(11)10-8(12)9-6/h6H,4-5H2,1-3H3,(H2,9,10,11,12)
InChIKeyYYLHSJIGVSXYJQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP-0.53
Rot. Bonds6

About [2-(2,5-dioxoimidazolidin-4-yl)ethyl-dimethyl-λ4-sulfanyl] methyl sulfate

[2-(2,5-dioxoimidazolidin-4-yl)ethyl-dimethyl-λ4-sulfanyl] methyl sulfate (PubChem CID 134995074) has the molecular formula C8H16N2O6S2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [2-(2,5-dioxoimidazolidin-4-yl)ethyl-dimethyl-λ4-sulfanyl] methyl sulfate.

Molecular Properties

Compound Name[2-(2,5-dioxoimidazolidin-4-yl)ethyl-dimethyl-λ4-sulfanyl] methyl sulfate
PubChem CID134995074
Molecular FormulaC8H16N2O6S2
Molecular Weight300.36 g/mol
Exact Mass300.04
IUPAC Name[2-(2,5-dioxoimidazolidin-4-yl)ethyl-dimethyl-λ4-sulfanyl] methyl sulfate
SMILESCOS(=O)(=O)OS(C)(C)CCC1NC(=O)NC1=O
InChIInChI=1S/C8H16N2O6S2/c1-15-18(13,14)16-17(2,3)5-4-6-7(11)10-8(12)9-6/h6H,4-5H2,1-3H3,(H2,9,10,11,12)
InChIKeyYYLHSJIGVSXYJQ-UHFFFAOYSA-N
XLogP-0.53
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dioxoimidazolidin-4-yl)ethyl-dimethyl-λ4-sulfanyl] methyl sulfate?
The IUPAC name of [2-(2,5-dioxoimidazolidin-4-yl)ethyl-dimethyl-λ4-sulfanyl] methyl sulfate (CID 134995074) is [2-(2,5-dioxoimidazolidin-4-yl)ethyl-dimethyl-λ4-sulfanyl] methyl sulfate.
What is the SMILES notation for [2-(2,5-dioxoimidazolidin-4-yl)ethyl-dimethyl-λ4-sulfanyl] methyl sulfate?
The canonical SMILES for [2-(2,5-dioxoimidazolidin-4-yl)ethyl-dimethyl-λ4-sulfanyl] methyl sulfate is COS(=O)(=O)OS(C)(C)CCC1NC(=O)NC1=O.
What is the InChIKey of [2-(2,5-dioxoimidazolidin-4-yl)ethyl-dimethyl-λ4-sulfanyl] methyl sulfate?
The InChIKey is YYLHSJIGVSXYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O6S2/c1-15-18(13,14)16-17(2,3)5-4-6-7(11)10-8(12)9-6/h6H,4-5H2,1-3H3,(H2,9,10,11,12).
What are the key properties of [2-(2,5-dioxoimidazolidin-4-yl)ethyl-dimethyl-λ4-sulfanyl] methyl sulfate?
[2-(2,5-dioxoimidazolidin-4-yl)ethyl-dimethyl-λ4-sulfanyl] methyl sulfate has a molecular weight of 300.36 g/mol, XLogP of -0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dioxoimidazolidin-4-yl)ethyl-dimethyl-λ4-sulfanyl] methyl sulfate is sourced from PubChem (CID 134995074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).