1-ethyl-3-(methylaminomethylsulfanyl)pyrrolidine-2,5-dione

C8H14N2O2S — CID 118150980

IUPAC1-ethyl-3-(methylaminomethylsulfanyl)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(SCNC)C1=O
InChIInChI=1S/C8H14N2O2S/c1-3-10-7(11)4-6(8(10)12)13-5-9-2/h6,9H,3-5H2,1-2H3
InChIKeyKQTNESOLYUFXBW-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.04
Rot. Bonds4

About 1-ethyl-3-(methylaminomethylsulfanyl)pyrrolidine-2,5-dione

1-ethyl-3-(methylaminomethylsulfanyl)pyrrolidine-2,5-dione (PubChem CID 118150980) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 1-ethyl-3-(methylaminomethylsulfanyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-(methylaminomethylsulfanyl)pyrrolidine-2,5-dione
PubChem CID118150980
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name1-ethyl-3-(methylaminomethylsulfanyl)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(SCNC)C1=O
InChIInChI=1S/C8H14N2O2S/c1-3-10-7(11)4-6(8(10)12)13-5-9-2/h6,9H,3-5H2,1-2H3
InChIKeyKQTNESOLYUFXBW-UHFFFAOYSA-N
XLogP0.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-ethyl-3-(methylaminomethylsulfanyl)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 1-ethyl-3-(methylaminomethylsulfanyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-(methylaminomethylsulfanyl)pyrrolidine-2,5-dione (CID 118150980) is 1-ethyl-3-(methylaminomethylsulfanyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-(methylaminomethylsulfanyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-(methylaminomethylsulfanyl)pyrrolidine-2,5-dione is CCN1C(=O)CC(SCNC)C1=O.
What is the InChIKey of 1-ethyl-3-(methylaminomethylsulfanyl)pyrrolidine-2,5-dione?
The InChIKey is KQTNESOLYUFXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-3-10-7(11)4-6(8(10)12)13-5-9-2/h6,9H,3-5H2,1-2H3.
What are the key properties of 1-ethyl-3-(methylaminomethylsulfanyl)pyrrolidine-2,5-dione?
1-ethyl-3-(methylaminomethylsulfanyl)pyrrolidine-2,5-dione has a molecular weight of 202.28 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(methylaminomethylsulfanyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 118150980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).