3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione

C11H17NO3S — CID 20805537

IUPAC3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione
SMILESCCSC1CC(=O)N(CCCC(C)=O)C1=O
InChIInChI=1S/C11H17NO3S/c1-3-16-9-7-10(14)12(11(9)15)6-4-5-8(2)13/h9H,3-7H2,1-2H3
InChIKeyMOVBHGZOIGBTLB-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.24
Rot. Bonds6

About 3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione

3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione (PubChem CID 20805537) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione
PubChem CID20805537
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione
SMILESCCSC1CC(=O)N(CCCC(C)=O)C1=O
InChIInChI=1S/C11H17NO3S/c1-3-16-9-7-10(14)12(11(9)15)6-4-5-8(2)13/h9H,3-7H2,1-2H3
InChIKeyMOVBHGZOIGBTLB-UHFFFAOYSA-N
XLogP1.24
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethylsulfanyl-1-heptylpyrrolidine-2,5-dione
CID 142573295
4-(2,5-dioxo-3-propylsulfanylpyrrolidin-1-yl)butanoic acid
CID 137398423
3-(1-iodopropylsulfanyl)-1-(6-oxoheptyl)pyrrolidine-2,5-dione
CID 126491665
3-methylsulfanyl-1-[10-[2-[2-(5-oxohexoxy)ethoxy]ethoxy]decyl]pyrrolidine-2,5-dione
CID 160685446
1-(5,5-dimethyl-4-oxohexyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 176767222
3-ethylsulfanyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione
CID 129268851
1-butyl-3-methylsulfanylpyrrolidine-2,5-dione
CID 58493179
ethane;1-heptyl-3-methylsulfanylpyrrolidine-2,5-dione
CID 142573296
8-[2-[2-[7-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-5-oxoheptoxy]ethoxy]ethoxy]-4-oxooctanoic acid
CID 58071238
3-(2-aminoethylsulfanyl)-1-nonylpyrrolidine-2,5-dione
CID 512847
1-(5-methylhexyl)-3-(2-methylpropylsulfanyl)pyrrolidine-2,5-dione
CID 154948740
3-methylsulfanyl-1-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-2,5-dione
CID 159429749

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione (CID 20805537) is 3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione is CCSC1CC(=O)N(CCCC(C)=O)C1=O.
What is the InChIKey of 3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione?
The InChIKey is MOVBHGZOIGBTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-3-16-9-7-10(14)12(11(9)15)6-4-5-8(2)13/h9H,3-7H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione?
3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione has a molecular weight of 243.33 g/mol, XLogP of 1.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 20805537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).