methyl 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]acetate

C8H12N2O4S — CID 35361183

IUPACmethyl 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]acetate
SMILESCOC(=O)CSCCN1C(=O)CNC1=O
InChIInChI=1S/C8H12N2O4S/c1-14-7(12)5-15-3-2-10-6(11)4-9-8(10)13/h2-5H2,1H3,(H,9,13)
InChIKeyFHSJQJNSWIWURT-UHFFFAOYSA-N
MW232.26 g/mol
LogP-0.56
Rot. Bonds5

About methyl 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]acetate

methyl 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]acetate (PubChem CID 35361183) has the molecular formula C8H12N2O4S and a molecular weight of 232.26 g/mol. Its IUPAC name is methyl 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]acetate
PubChem CID35361183
Molecular FormulaC8H12N2O4S
Molecular Weight232.26 g/mol
Exact Mass232.05
IUPAC Namemethyl 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]acetate
SMILESCOC(=O)CSCCN1C(=O)CNC1=O
InChIInChI=1S/C8H12N2O4S/c1-14-7(12)5-15-3-2-10-6(11)4-9-8(10)13/h2-5H2,1H3,(H,9,13)
InChIKeyFHSJQJNSWIWURT-UHFFFAOYSA-N
XLogP-0.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]acetate?
The IUPAC name of methyl 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]acetate (CID 35361183) is methyl 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]acetate.
What is the SMILES notation for methyl 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]acetate?
The canonical SMILES for methyl 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]acetate is COC(=O)CSCCN1C(=O)CNC1=O.
What is the InChIKey of methyl 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]acetate?
The InChIKey is FHSJQJNSWIWURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S/c1-14-7(12)5-15-3-2-10-6(11)4-9-8(10)13/h2-5H2,1H3,(H,9,13).
What are the key properties of methyl 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]acetate?
methyl 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]acetate has a molecular weight of 232.26 g/mol, XLogP of -0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]acetate is sourced from PubChem (CID 35361183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).