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

C12H17NO4S — CID 59237935

IUPAC1-(4-oxopentyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione
SMILESCC(=O)CCCN1C(=O)CC(SCC(C)=O)C1=O
InChIInChI=1S/C12H17NO4S/c1-8(14)4-3-5-13-11(16)6-10(12(13)17)18-7-9(2)15/h10H,3-7H2,1-2H3
InChIKeyKYRAGVLSWIVLAA-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.81
Rot. Bonds7

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

1-(4-oxopentyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione (PubChem CID 59237935) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-(4-oxopentyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-oxopentyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione
PubChem CID59237935
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name1-(4-oxopentyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione
SMILESCC(=O)CCCN1C(=O)CC(SCC(C)=O)C1=O
InChIInChI=1S/C12H17NO4S/c1-8(14)4-3-5-13-11(16)6-10(12(13)17)18-7-9(2)15/h10H,3-7H2,1-2H3
InChIKeyKYRAGVLSWIVLAA-UHFFFAOYSA-N
XLogP0.81
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-oxopentyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-oxopentyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione (CID 59237935) is 1-(4-oxopentyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-oxopentyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-oxopentyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione is CC(=O)CCCN1C(=O)CC(SCC(C)=O)C1=O.
What is the InChIKey of 1-(4-oxopentyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione?
The InChIKey is KYRAGVLSWIVLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-8(14)4-3-5-13-11(16)6-10(12(13)17)18-7-9(2)15/h10H,3-7H2,1-2H3.
What are the key properties of 1-(4-oxopentyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione?
1-(4-oxopentyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione has a molecular weight of 271.34 g/mol, XLogP of 0.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxopentyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 59237935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).