1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione

C17H22N2O4S — CID 113083123

IUPAC1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione
SMILESCc1ccc(S(=O)(=O)N2CCC(N3C(=O)CCC3=O)CC2)cc1C
InChIInChI=1S/C17H22N2O4S/c1-12-3-4-15(11-13(12)2)24(22,23)18-9-7-14(8-10-18)19-16(20)5-6-17(19)21/h3-4,11,14H,5-10H2,1-2H3
InChIKeyCQCCMJPKVWXUDM-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.61
Rot. Bonds3

About 1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione

1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione (PubChem CID 113083123) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione
PubChem CID113083123
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione
SMILESCc1ccc(S(=O)(=O)N2CCC(N3C(=O)CCC3=O)CC2)cc1C
InChIInChI=1S/C17H22N2O4S/c1-12-3-4-15(11-13(12)2)24(22,23)18-9-7-14(8-10-18)19-16(20)5-6-17(19)21/h3-4,11,14H,5-10H2,1-2H3
InChIKeyCQCCMJPKVWXUDM-UHFFFAOYSA-N
XLogP1.61
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
4-bromo-1-(3,4-dimethylphenyl)sulfonylpiperidine
CID 80673573
3-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156792
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine
CID 6499792
1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110708923
1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110363746
1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 113074953
1-(3,4-dimethylphenyl)sulfonyl-4-isocyanatopiperidine
CID 28941465
1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione
CID 113083144
1-(3,4-dimethylphenyl)sulfonyl-N-ethylpiperidin-4-amine
CID 60819969
4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine
CID 82305650
1-(3,4-dimethylphenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine
CID 46287318

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione (CID 113083123) is 1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione is Cc1ccc(S(=O)(=O)N2CCC(N3C(=O)CCC3=O)CC2)cc1C.
What is the InChIKey of 1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione?
The InChIKey is CQCCMJPKVWXUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-12-3-4-15(11-13(12)2)24(22,23)18-9-7-14(8-10-18)19-16(20)5-6-17(19)21/h3-4,11,14H,5-10H2,1-2H3.
What are the key properties of 1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione?
1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione has a molecular weight of 350.44 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 113083123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).