1-(2-ethoxyethyl)-3-(3-oxohexylsulfanyl)pyrrolidine-2,5-dione

C14H23NO4S — CID 58281068

IUPAC1-(2-ethoxyethyl)-3-(3-oxohexylsulfanyl)pyrrolidine-2,5-dione
SMILESCCCC(=O)CCSC1CC(=O)N(CCOCC)C1=O
InChIInChI=1S/C14H23NO4S/c1-3-5-11(16)6-9-20-12-10-13(17)15(14(12)18)7-8-19-4-2/h12H,3-10H2,1-2H3
InChIKeyIFPDZZSKFVZUNJ-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.64
Rot. Bonds10

About 1-(2-ethoxyethyl)-3-(3-oxohexylsulfanyl)pyrrolidine-2,5-dione

1-(2-ethoxyethyl)-3-(3-oxohexylsulfanyl)pyrrolidine-2,5-dione (PubChem CID 58281068) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-(3-oxohexylsulfanyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-(3-oxohexylsulfanyl)pyrrolidine-2,5-dione
PubChem CID58281068
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC Name1-(2-ethoxyethyl)-3-(3-oxohexylsulfanyl)pyrrolidine-2,5-dione
SMILESCCCC(=O)CCSC1CC(=O)N(CCOCC)C1=O
InChIInChI=1S/C14H23NO4S/c1-3-5-11(16)6-9-20-12-10-13(17)15(14(12)18)7-8-19-4-2/h12H,3-10H2,1-2H3
InChIKeyIFPDZZSKFVZUNJ-UHFFFAOYSA-N
XLogP1.64
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-Methoxyethoxy)ethyl]-3-(2-propoxyethylsulfanyl)pyrrolidine-2,5-dione
CID 58663421
1-(2-Ethoxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 58841262
1-(4-Oxopentyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione
CID 59237935
3-(3-Methoxypropylsulfanyl)-1-(6-oxoheptyl)pyrrolidine-2,5-dione
CID 59567317
3-(3-Methoxypropylsulfanyl)-1-(4-oxopentyl)pyrrolidine-2,5-dione
CID 59567340
1-(2-Methoxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 59656289
1-(2-Propoxyethyl)-3-propylsulfanylpyrrolidine-2,5-dione
CID 59800793
1-[2-(2-Methoxyethoxy)ethyl]-3-[2-(2-oxo-4-sulfanylbutoxy)ethylsulfanyl]pyrrolidine-2,5-dione
CID 60022185
1-[2-[2-(2-Propoxyethoxy)ethoxy]ethyl]-3-propylsulfanylpyrrolidine-2,5-dione
CID 66594944
3-Methylsulfanyl-1-[2-(3-oxobutoxy)ethyl]pyrrolidine-2,5-dione
CID 89577593
3-[2-(2-Methoxyethoxy)ethylsulfanyl]-1-(6-oxoheptyl)pyrrolidine-2,5-dione
CID 89834798
1-Ethyl-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione;propan-2-one
CID 91402199

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-(3-oxohexylsulfanyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-ethoxyethyl)-3-(3-oxohexylsulfanyl)pyrrolidine-2,5-dione (CID 58281068) is 1-(2-ethoxyethyl)-3-(3-oxohexylsulfanyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-(3-oxohexylsulfanyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-ethoxyethyl)-3-(3-oxohexylsulfanyl)pyrrolidine-2,5-dione is CCCC(=O)CCSC1CC(=O)N(CCOCC)C1=O.
What is the InChIKey of 1-(2-ethoxyethyl)-3-(3-oxohexylsulfanyl)pyrrolidine-2,5-dione?
The InChIKey is IFPDZZSKFVZUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-3-5-11(16)6-9-20-12-10-13(17)15(14(12)18)7-8-19-4-2/h12H,3-10H2,1-2H3.
What are the key properties of 1-(2-ethoxyethyl)-3-(3-oxohexylsulfanyl)pyrrolidine-2,5-dione?
1-(2-ethoxyethyl)-3-(3-oxohexylsulfanyl)pyrrolidine-2,5-dione has a molecular weight of 301.41 g/mol, XLogP of 1.64, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-(3-oxohexylsulfanyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 58281068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).