1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-phenylpyrrolidine-2,5-dione

C15H19NO3S — CID 106159464

IUPAC1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-phenylpyrrolidine-2,5-dione
SMILESCSC(CO)C(C)N1C(=O)CC(c2ccccc2)C1=O
InChIInChI=1S/C15H19NO3S/c1-10(13(9-17)20-2)16-14(18)8-12(15(16)19)11-6-4-3-5-7-11/h3-7,10,12-13,17H,8-9H2,1-2H3
InChIKeyYICJDIRBECQIQE-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.64
Rot. Bonds5

About 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-phenylpyrrolidine-2,5-dione

1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-phenylpyrrolidine-2,5-dione (PubChem CID 106159464) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-phenylpyrrolidine-2,5-dione
PubChem CID106159464
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-phenylpyrrolidine-2,5-dione
SMILESCSC(CO)C(C)N1C(=O)CC(c2ccccc2)C1=O
InChIInChI=1S/C15H19NO3S/c1-10(13(9-17)20-2)16-14(18)8-12(15(16)19)11-6-4-3-5-7-11/h3-7,10,12-13,17H,8-9H2,1-2H3
InChIKeyYICJDIRBECQIQE-UHFFFAOYSA-N
XLogP1.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
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-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-phenylpyrrolidine-2,5-dione (CID 106159464) is 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-phenylpyrrolidine-2,5-dione is CSC(CO)C(C)N1C(=O)CC(c2ccccc2)C1=O.
What is the InChIKey of 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-phenylpyrrolidine-2,5-dione?
The InChIKey is YICJDIRBECQIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-10(13(9-17)20-2)16-14(18)8-12(15(16)19)11-6-4-3-5-7-11/h3-7,10,12-13,17H,8-9H2,1-2H3.
What are the key properties of 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-phenylpyrrolidine-2,5-dione?
1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-phenylpyrrolidine-2,5-dione has a molecular weight of 293.39 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 106159464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).