(S)-Ethosuximide

C7H11NO2 — CID 10630591

IUPAC(3S)-3-ethyl-3-methylpyrrolidine-2,5-dione
SMILESCC[C@]1(CC(=O)NC1=O)C
InChIInChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)/t7-/m0/s1
InChIKeyHAPOVYFOVVWLRS-ZETCQYMHSA-N
MW141.17 g/mol
LogP0.40
Rot. Bonds1

About (S)-Ethosuximide

(S)-Ethosuximide (PubChem CID 10630591) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (3S)-3-ethyl-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(S)-Ethosuximide
PubChem CID10630591
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(3S)-3-ethyl-3-methylpyrrolidine-2,5-dione
SMILESCC[C@]1(CC(=O)NC1=O)C
InChIInChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)/t7-/m0/s1
InChIKeyHAPOVYFOVVWLRS-ZETCQYMHSA-N
XLogP0.40
TPSA46.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity188

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethosuximide
CID 3291
2,2,3,3-Tetramethylsuccinimide
CID 72824
2,2-Dimethylsuccinimide
CID 225678
(R)-Ethosuximide
CID 6603844
3,3,4-Trimethylpyrrolidine-2,5-dione
CID 550809
Ethosuximide metabolite III
CID 101661945
3-Ethyl-4-methylpyrrolidine-2,5-dione
CID 20033949
3,3-Diethylpyrrolidine-2,5-dione
CID 222690
3-Methyl-3-propyl-2,5-pyrrolidinedione
CID 73899
6-Azaspiro(3.4)octane-5,7-dione
CID 15155
a-Methyl-a-ethyl succinimide
CID 18442688
3-Methyl-3-(2,2,2-trideuterioethyl)pyrrolidine-2,5-dione
CID 46781517

Frequently Asked Questions

What is the IUPAC name of (S)-Ethosuximide?
The IUPAC name of (S)-Ethosuximide (CID 10630591) is (3S)-3-ethyl-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (S)-Ethosuximide?
The canonical SMILES for (S)-Ethosuximide is CC[C@]1(CC(=O)NC1=O)C.
What is the InChIKey of (S)-Ethosuximide?
The InChIKey is HAPOVYFOVVWLRS-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)/t7-/m0/s1.
What are the key properties of (S)-Ethosuximide?
(S)-Ethosuximide has a molecular weight of 141.17 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-Ethosuximide is sourced from PubChem (CID 10630591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).