1-[2-(2-methoxyethoxy)ethyl]-3-(2-propoxyethylsulfanyl)pyrrolidine-2,5-dione

C14H25NO5S — CID 58663421

IUPAC1-[2-(2-methoxyethoxy)ethyl]-3-(2-propoxyethylsulfanyl)pyrrolidine-2,5-dione
SMILESCCCOCCSC1CC(=O)N(CCOCCOC)C1=O
InChIInChI=1S/C14H25NO5S/c1-3-5-19-9-10-21-12-11-13(16)15(14(12)17)4-6-20-8-7-18-2/h12H,3-11H2,1-2H3
InChIKeyXCCJEQFICRBSER-UHFFFAOYSA-N
MW319.42 g/mol
LogP0.94
Rot. Bonds12

About 1-[2-(2-methoxyethoxy)ethyl]-3-(2-propoxyethylsulfanyl)pyrrolidine-2,5-dione

1-[2-(2-methoxyethoxy)ethyl]-3-(2-propoxyethylsulfanyl)pyrrolidine-2,5-dione (PubChem CID 58663421) has the molecular formula C14H25NO5S and a molecular weight of 319.42 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethyl]-3-(2-propoxyethylsulfanyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethyl]-3-(2-propoxyethylsulfanyl)pyrrolidine-2,5-dione
PubChem CID58663421
Molecular FormulaC14H25NO5S
Molecular Weight319.42 g/mol
Exact Mass319.15
IUPAC Name1-[2-(2-methoxyethoxy)ethyl]-3-(2-propoxyethylsulfanyl)pyrrolidine-2,5-dione
SMILESCCCOCCSC1CC(=O)N(CCOCCOC)C1=O
InChIInChI=1S/C14H25NO5S/c1-3-5-19-9-10-21-12-11-13(16)15(14(12)17)4-6-20-8-7-18-2/h12H,3-11H2,1-2H3
InChIKeyXCCJEQFICRBSER-UHFFFAOYSA-N
XLogP0.94
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-3-(2-propoxyethylsulfanyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-3-(2-propoxyethylsulfanyl)pyrrolidine-2,5-dione (CID 58663421) is 1-[2-(2-methoxyethoxy)ethyl]-3-(2-propoxyethylsulfanyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethyl]-3-(2-propoxyethylsulfanyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethyl]-3-(2-propoxyethylsulfanyl)pyrrolidine-2,5-dione is CCCOCCSC1CC(=O)N(CCOCCOC)C1=O.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethyl]-3-(2-propoxyethylsulfanyl)pyrrolidine-2,5-dione?
The InChIKey is XCCJEQFICRBSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5S/c1-3-5-19-9-10-21-12-11-13(16)15(14(12)17)4-6-20-8-7-18-2/h12H,3-11H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethyl]-3-(2-propoxyethylsulfanyl)pyrrolidine-2,5-dione?
1-[2-(2-methoxyethoxy)ethyl]-3-(2-propoxyethylsulfanyl)pyrrolidine-2,5-dione has a molecular weight of 319.42 g/mol, XLogP of 0.94, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethyl]-3-(2-propoxyethylsulfanyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 58663421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).