1-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]pyrrolidine-2,5-dione

C16H20N2O5S — CID 112507427

IUPAC1-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]pyrrolidine-2,5-dione
SMILESCC1(C)COCCN1S(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C16H20N2O5S/c1-16(2)11-23-10-9-17(16)24(21,22)13-5-3-12(4-6-13)18-14(19)7-8-15(18)20/h3-6H,7-11H2,1-2H3
InChIKeyXSSZVVZOCILXJQ-UHFFFAOYSA-N
MW352.41 g/mol
LogP1.14
Rot. Bonds3

About 1-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]pyrrolidine-2,5-dione

1-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]pyrrolidine-2,5-dione (PubChem CID 112507427) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]pyrrolidine-2,5-dione
PubChem CID112507427
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name1-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]pyrrolidine-2,5-dione
SMILESCC1(C)COCCN1S(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C16H20N2O5S/c1-16(2)11-23-10-9-17(16)24(21,22)13-5-3-12(4-6-13)18-14(19)7-8-15(18)20/h3-6H,7-11H2,1-2H3
InChIKeyXSSZVVZOCILXJQ-UHFFFAOYSA-N
XLogP1.14
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]pyrrolidine-2,5-dione (CID 112507427) is 1-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]pyrrolidine-2,5-dione is CC1(C)COCCN1S(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of 1-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]pyrrolidine-2,5-dione?
The InChIKey is XSSZVVZOCILXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-16(2)11-23-10-9-17(16)24(21,22)13-5-3-12(4-6-13)18-14(19)7-8-15(18)20/h3-6H,7-11H2,1-2H3.
What are the key properties of 1-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]pyrrolidine-2,5-dione?
1-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]pyrrolidine-2,5-dione has a molecular weight of 352.41 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 112507427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).