1,3-bis[2-(oxiran-2-ylmethylsulfanyl)ethyl]imidazolidin-2-one

C13H22N2O3S2 — CID 22666812

IUPAC1,3-bis[2-(oxiran-2-ylmethylsulfanyl)ethyl]imidazolidin-2-one
SMILESO=C1N(CCSCC2CO2)CCN1CCSCC1CO1
InChIInChI=1S/C13H22N2O3S2/c16-13-14(3-5-19-9-11-7-17-11)1-2-15(13)4-6-20-10-12-8-18-12/h11-12H,1-10H2
InChIKeyYDJJVKNIUZYMET-UHFFFAOYSA-N
MW318.46 g/mol
LogP0.99
Rot. Bonds10

About 1,3-bis[2-(oxiran-2-ylmethylsulfanyl)ethyl]imidazolidin-2-one

1,3-bis[2-(oxiran-2-ylmethylsulfanyl)ethyl]imidazolidin-2-one (PubChem CID 22666812) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1,3-bis[2-(oxiran-2-ylmethylsulfanyl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis[2-(oxiran-2-ylmethylsulfanyl)ethyl]imidazolidin-2-one
PubChem CID22666812
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC Name1,3-bis[2-(oxiran-2-ylmethylsulfanyl)ethyl]imidazolidin-2-one
SMILESO=C1N(CCSCC2CO2)CCN1CCSCC1CO1
InChIInChI=1S/C13H22N2O3S2/c16-13-14(3-5-19-9-11-7-17-11)1-2-15(13)4-6-20-10-12-8-18-12/h11-12H,1-10H2
InChIKeyYDJJVKNIUZYMET-UHFFFAOYSA-N
XLogP0.99
TPSA48.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-(oxiran-2-ylmethylsulfanyl)ethyl]imidazolidin-2-one?
The IUPAC name of 1,3-bis[2-(oxiran-2-ylmethylsulfanyl)ethyl]imidazolidin-2-one (CID 22666812) is 1,3-bis[2-(oxiran-2-ylmethylsulfanyl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1,3-bis[2-(oxiran-2-ylmethylsulfanyl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1,3-bis[2-(oxiran-2-ylmethylsulfanyl)ethyl]imidazolidin-2-one is O=C1N(CCSCC2CO2)CCN1CCSCC1CO1.
What is the InChIKey of 1,3-bis[2-(oxiran-2-ylmethylsulfanyl)ethyl]imidazolidin-2-one?
The InChIKey is YDJJVKNIUZYMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c16-13-14(3-5-19-9-11-7-17-11)1-2-15(13)4-6-20-10-12-8-18-12/h11-12H,1-10H2.
What are the key properties of 1,3-bis[2-(oxiran-2-ylmethylsulfanyl)ethyl]imidazolidin-2-one?
1,3-bis[2-(oxiran-2-ylmethylsulfanyl)ethyl]imidazolidin-2-one has a molecular weight of 318.46 g/mol, XLogP of 0.99, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(oxiran-2-ylmethylsulfanyl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 22666812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).