3-ethylsulfanyl-1-[2-(tritritiomethoxy)ethyl]pyrrolidine-2,5-dione

C9H15NO3S — CID 167419968

IUPAC3-ethylsulfanyl-1-[2-(tritritiomethoxy)ethyl]pyrrolidine-2,5-dione
SMILES[3H]C([3H])([3H])OCCN1C(=O)CC(SCC)C1=O
InChIInChI=1S/C9H15NO3S/c1-3-14-7-6-8(11)10(9(7)12)4-5-13-2/h7H,3-6H2,1-2H3/i2T3
InChIKeyJISWJXBIOBHCDW-BHTRQJOGSA-N
MW223.31 g/mol
LogP0.51
Rot. Bonds6

About 3-ethylsulfanyl-1-[2-(tritritiomethoxy)ethyl]pyrrolidine-2,5-dione

3-ethylsulfanyl-1-[2-(tritritiomethoxy)ethyl]pyrrolidine-2,5-dione (PubChem CID 167419968) has the molecular formula C9H15NO3S and a molecular weight of 223.31 g/mol. Its IUPAC name is 3-ethylsulfanyl-1-[2-(tritritiomethoxy)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-ethylsulfanyl-1-[2-(tritritiomethoxy)ethyl]pyrrolidine-2,5-dione
PubChem CID167419968
Molecular FormulaC9H15NO3S
Molecular Weight223.31 g/mol
Exact Mass223.10
IUPAC Name3-ethylsulfanyl-1-[2-(tritritiomethoxy)ethyl]pyrrolidine-2,5-dione
SMILES[3H]C([3H])([3H])OCCN1C(=O)CC(SCC)C1=O
InChIInChI=1S/C9H15NO3S/c1-3-14-7-6-8(11)10(9(7)12)4-5-13-2/h7H,3-6H2,1-2H3/i2T3
InChIKeyJISWJXBIOBHCDW-BHTRQJOGSA-N
XLogP0.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-ethylsulfanyl-1-[2-(tritritiomethoxy)ethyl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-1-[2-(tritritiomethoxy)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-ethylsulfanyl-1-[2-(tritritiomethoxy)ethyl]pyrrolidine-2,5-dione (CID 167419968) is 3-ethylsulfanyl-1-[2-(tritritiomethoxy)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-ethylsulfanyl-1-[2-(tritritiomethoxy)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-ethylsulfanyl-1-[2-(tritritiomethoxy)ethyl]pyrrolidine-2,5-dione is [3H]C([3H])([3H])OCCN1C(=O)CC(SCC)C1=O.
What is the InChIKey of 3-ethylsulfanyl-1-[2-(tritritiomethoxy)ethyl]pyrrolidine-2,5-dione?
The InChIKey is JISWJXBIOBHCDW-BHTRQJOGSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-3-14-7-6-8(11)10(9(7)12)4-5-13-2/h7H,3-6H2,1-2H3/i2T3.
What are the key properties of 3-ethylsulfanyl-1-[2-(tritritiomethoxy)ethyl]pyrrolidine-2,5-dione?
3-ethylsulfanyl-1-[2-(tritritiomethoxy)ethyl]pyrrolidine-2,5-dione has a molecular weight of 223.31 g/mol, XLogP of 0.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-1-[2-(tritritiomethoxy)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 167419968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).