1-[2-(3-methylsulfanylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione

C11H16N2O3S — CID 72717821

IUPAC1-[2-(3-methylsulfanylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCSC1CCN(C(=O)CN2C(=O)CCC2=O)C1
InChIInChI=1S/C11H16N2O3S/c1-17-8-4-5-12(6-8)11(16)7-13-9(14)2-3-10(13)15/h8H,2-7H2,1H3
InChIKeyNWGSKCKTLKFOPB-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.10
Rot. Bonds3

About 1-[2-(3-methylsulfanylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-(3-methylsulfanylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 72717821) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-[2-(3-methylsulfanylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(3-methylsulfanylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID72717821
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name1-[2-(3-methylsulfanylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCSC1CCN(C(=O)CN2C(=O)CCC2=O)C1
InChIInChI=1S/C11H16N2O3S/c1-17-8-4-5-12(6-8)11(16)7-13-9(14)2-3-10(13)15/h8H,2-7H2,1H3
InChIKeyNWGSKCKTLKFOPB-UHFFFAOYSA-N
XLogP0.10
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.10
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-[2-(3-methylsulfanylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(3-methylsulfanylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione (CID 72717821) is 1-[2-(3-methylsulfanylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(3-methylsulfanylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(3-methylsulfanylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione is CSC1CCN(C(=O)CN2C(=O)CCC2=O)C1.
What is the InChIKey of 1-[2-(3-methylsulfanylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is NWGSKCKTLKFOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-17-8-4-5-12(6-8)11(16)7-13-9(14)2-3-10(13)15/h8H,2-7H2,1H3.
What are the key properties of 1-[2-(3-methylsulfanylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-(3-methylsulfanylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 256.33 g/mol, XLogP of 0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylsulfanylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 72717821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).