1-ethyl-3-(3-methyl-2-oxobutyl)sulfanylpyrrolidine-2,5-dione

C11H17NO3S — CID 71241686

IUPAC1-ethyl-3-(3-methyl-2-oxobutyl)sulfanylpyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(SCC(=O)C(C)C)C1=O
InChIInChI=1S/C11H17NO3S/c1-4-12-10(14)5-9(11(12)15)16-6-8(13)7(2)3/h7,9H,4-6H2,1-3H3
InChIKeyISVHJRGJYXKSHU-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.09
Rot. Bonds5

About 1-ethyl-3-(3-methyl-2-oxobutyl)sulfanylpyrrolidine-2,5-dione

1-ethyl-3-(3-methyl-2-oxobutyl)sulfanylpyrrolidine-2,5-dione (PubChem CID 71241686) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-ethyl-3-(3-methyl-2-oxobutyl)sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-(3-methyl-2-oxobutyl)sulfanylpyrrolidine-2,5-dione
PubChem CID71241686
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name1-ethyl-3-(3-methyl-2-oxobutyl)sulfanylpyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(SCC(=O)C(C)C)C1=O
InChIInChI=1S/C11H17NO3S/c1-4-12-10(14)5-9(11(12)15)16-6-8(13)7(2)3/h7,9H,4-6H2,1-3H3
InChIKeyISVHJRGJYXKSHU-UHFFFAOYSA-N
XLogP1.09
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-methyl-2-oxobutyl)sulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-(3-methyl-2-oxobutyl)sulfanylpyrrolidine-2,5-dione (CID 71241686) is 1-ethyl-3-(3-methyl-2-oxobutyl)sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-(3-methyl-2-oxobutyl)sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-(3-methyl-2-oxobutyl)sulfanylpyrrolidine-2,5-dione is CCN1C(=O)CC(SCC(=O)C(C)C)C1=O.
What is the InChIKey of 1-ethyl-3-(3-methyl-2-oxobutyl)sulfanylpyrrolidine-2,5-dione?
The InChIKey is ISVHJRGJYXKSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-4-12-10(14)5-9(11(12)15)16-6-8(13)7(2)3/h7,9H,4-6H2,1-3H3.
What are the key properties of 1-ethyl-3-(3-methyl-2-oxobutyl)sulfanylpyrrolidine-2,5-dione?
1-ethyl-3-(3-methyl-2-oxobutyl)sulfanylpyrrolidine-2,5-dione has a molecular weight of 243.33 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-methyl-2-oxobutyl)sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 71241686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).