1-(4-methoxybutan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione

C10H17NO3S — CID 59378711

IUPAC1-(4-methoxybutan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione
SMILESCOCCC(C)N1C(=O)CC(SC)C1=O
InChIInChI=1S/C10H17NO3S/c1-7(4-5-14-2)11-9(12)6-8(15-3)10(11)13/h7-8H,4-6H2,1-3H3
InChIKeyILHYPMWIUOMITK-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.90
Rot. Bonds5

About 1-(4-methoxybutan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione

1-(4-methoxybutan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione (PubChem CID 59378711) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-(4-methoxybutan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-methoxybutan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione
PubChem CID59378711
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name1-(4-methoxybutan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione
SMILESCOCCC(C)N1C(=O)CC(SC)C1=O
InChIInChI=1S/C10H17NO3S/c1-7(4-5-14-2)11-9(12)6-8(15-3)10(11)13/h7-8H,4-6H2,1-3H3
InChIKeyILHYPMWIUOMITK-UHFFFAOYSA-N
XLogP0.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-methoxybutan-2-yl)-3-methylsulfanylpyrrolidine-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-(4-methoxybutan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-(4-methoxybutan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione (CID 59378711) is 1-(4-methoxybutan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-methoxybutan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-methoxybutan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione is COCCC(C)N1C(=O)CC(SC)C1=O.
What is the InChIKey of 1-(4-methoxybutan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione?
The InChIKey is ILHYPMWIUOMITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-7(4-5-14-2)11-9(12)6-8(15-3)10(11)13/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-(4-methoxybutan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione?
1-(4-methoxybutan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione has a molecular weight of 231.32 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutan-2-yl)-3-methylsulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 59378711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).