1-(2-oxopropyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione

C10H13NO4S — CID 58435534

IUPAC1-(2-oxopropyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione
SMILESCC(=O)CSC1CC(=O)N(CC(C)=O)C1=O
InChIInChI=1S/C10H13NO4S/c1-6(12)4-11-9(14)3-8(10(11)15)16-5-7(2)13/h8H,3-5H2,1-2H3
InChIKeyAWVXATGHDGCDGZ-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.03
Rot. Bonds5

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

1-(2-oxopropyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione (PubChem CID 58435534) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 1-(2-oxopropyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-oxopropyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione
PubChem CID58435534
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name1-(2-oxopropyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione
SMILESCC(=O)CSC1CC(=O)N(CC(C)=O)C1=O
InChIInChI=1S/C10H13NO4S/c1-6(12)4-11-9(14)3-8(10(11)15)16-5-7(2)13/h8H,3-5H2,1-2H3
InChIKeyAWVXATGHDGCDGZ-UHFFFAOYSA-N
XLogP0.03
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.03
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-(2-oxopropyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-oxopropyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione (CID 58435534) is 1-(2-oxopropyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-oxopropyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-oxopropyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione is CC(=O)CSC1CC(=O)N(CC(C)=O)C1=O.
What is the InChIKey of 1-(2-oxopropyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione?
The InChIKey is AWVXATGHDGCDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-6(12)4-11-9(14)3-8(10(11)15)16-5-7(2)13/h8H,3-5H2,1-2H3.
What are the key properties of 1-(2-oxopropyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione?
1-(2-oxopropyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione has a molecular weight of 243.28 g/mol, XLogP of 0.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopropyl)-3-(2-oxopropylsulfanyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 58435534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).