1-[2-[1-ethylsulfanylpropan-2-yl(methyl)amino]ethyl]pyrrolidine-2,5-dione

C12H22N2O2S — CID 75386819

IUPAC1-[2-[1-ethylsulfanylpropan-2-yl(methyl)amino]ethyl]pyrrolidine-2,5-dione
SMILESCCSCC(C)N(C)CCN1C(=O)CCC1=O
InChIInChI=1S/C12H22N2O2S/c1-4-17-9-10(2)13(3)7-8-14-11(15)5-6-12(14)16/h10H,4-9H2,1-3H3
InChIKeyYUWAZULPTDRDRV-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.21
Rot. Bonds7

About 1-[2-[1-ethylsulfanylpropan-2-yl(methyl)amino]ethyl]pyrrolidine-2,5-dione

1-[2-[1-ethylsulfanylpropan-2-yl(methyl)amino]ethyl]pyrrolidine-2,5-dione (PubChem CID 75386819) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-[2-[1-ethylsulfanylpropan-2-yl(methyl)amino]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[1-ethylsulfanylpropan-2-yl(methyl)amino]ethyl]pyrrolidine-2,5-dione
PubChem CID75386819
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name1-[2-[1-ethylsulfanylpropan-2-yl(methyl)amino]ethyl]pyrrolidine-2,5-dione
SMILESCCSCC(C)N(C)CCN1C(=O)CCC1=O
InChIInChI=1S/C12H22N2O2S/c1-4-17-9-10(2)13(3)7-8-14-11(15)5-6-12(14)16/h10H,4-9H2,1-3H3
InChIKeyYUWAZULPTDRDRV-UHFFFAOYSA-N
XLogP1.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[1-ethylsulfanylpropan-2-yl(methyl)amino]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 1-[2-[1-ethylsulfanylpropan-2-yl(methyl)amino]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[1-ethylsulfanylpropan-2-yl(methyl)amino]ethyl]pyrrolidine-2,5-dione (CID 75386819) is 1-[2-[1-ethylsulfanylpropan-2-yl(methyl)amino]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[1-ethylsulfanylpropan-2-yl(methyl)amino]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[1-ethylsulfanylpropan-2-yl(methyl)amino]ethyl]pyrrolidine-2,5-dione is CCSCC(C)N(C)CCN1C(=O)CCC1=O.
What is the InChIKey of 1-[2-[1-ethylsulfanylpropan-2-yl(methyl)amino]ethyl]pyrrolidine-2,5-dione?
The InChIKey is YUWAZULPTDRDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-4-17-9-10(2)13(3)7-8-14-11(15)5-6-12(14)16/h10H,4-9H2,1-3H3.
What are the key properties of 1-[2-[1-ethylsulfanylpropan-2-yl(methyl)amino]ethyl]pyrrolidine-2,5-dione?
1-[2-[1-ethylsulfanylpropan-2-yl(methyl)amino]ethyl]pyrrolidine-2,5-dione has a molecular weight of 258.39 g/mol, XLogP of 1.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-ethylsulfanylpropan-2-yl(methyl)amino]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 75386819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).