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

C18H22N2O5S — CID 7631782

IUPAC1-[2-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=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/t15-/m0/s1
InChIKeySKVCURYJKKGNHS-HNNXBMFYSA-N
MW378.45 g/mol
LogP1.26
Rot. Bonds5

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

1-[2-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 7631782) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-[2-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID7631782
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name1-[2-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=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/t15-/m0/s1
InChIKeySKVCURYJKKGNHS-HNNXBMFYSA-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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Related Compounds

1-(4-methylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 2450240
2-[2-[4-(Benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 4845766
N-isopropyl-4-[3-oxo-3-(1-pyrrolidinyl)propyl]benzenesulfonamide
CID 978022
4-(3-oxo-3-piperidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 1090373
1-[(4-Methylphenyl)sulfonyl]-5-[(4-methyl-1-piperazinyl)carbonyl]-2-pyrrolidinone
CID 2956144
1-[(4-Methylphenyl)sulfonyl]-5-(piperidin-1-ylcarbonyl)pyrrolidin-2-one
CID 2956252
1-{1-[(4-Methylphenyl)sulfonyl]prolyl}azepane
CID 2964486
3-[4-(3,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 3968690
N-(1,1-dioxothiolan-3-yl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 5243057
(S)-N-propyl-1-(1-tosylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide
CID 7679666
2-[4-(4-Propan-2-ylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 16323853
1-({1-[(4-methylphenyl)sulfonyl]piperidin-4-yl}carbonyl)-D-prolyl-L-leucylglycinamide
CID 16396689

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 7631782) is 1-[2-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione is Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)CN2C(=O)CCC2=O)cc1.
What is the InChIKey of 1-[2-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is SKVCURYJKKGNHS-HNNXBMFYSA-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/t15-/m0/s1.
What are the key properties of 1-[2-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-[(2S)-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-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 7631782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).