1-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C18H22N2O5S — CID 4909654

IUPAC1-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCc1ccc(S(=O)(=O)N2CCCCC2C(=O)CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C18H22N2O5S/c1-13-5-7-14(8-6-13)26(24,25)20-11-3-2-4-15(20)16(21)12-19-17(22)9-10-18(19)23/h5-8,15H,2-4,9-12H2,1H3
InChIKeySKVCURYJKKGNHS-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.26
Rot. Bonds5

About 1-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 4909654) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID4909654
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name1-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCc1ccc(S(=O)(=O)N2CCCCC2C(=O)CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C18H22N2O5S/c1-13-5-7-14(8-6-13)26(24,25)20-11-3-2-4-15(20)16(21)12-19-17(22)9-10-18(19)23/h5-8,15H,2-4,9-12H2,1H3
InChIKeySKVCURYJKKGNHS-UHFFFAOYSA-N
XLogP1.26
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.26
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-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 4909654) is 1-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione is Cc1ccc(S(=O)(=O)N2CCCCC2C(=O)CN2C(=O)CCC2=O)cc1.
What is the InChIKey of 1-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is SKVCURYJKKGNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-13-5-7-14(8-6-13)26(24,25)20-11-3-2-4-15(20)16(21)12-19-17(22)9-10-18(19)23/h5-8,15H,2-4,9-12H2,1H3.
What are the key properties of 1-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 378.45 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 4909654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).