(5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione

C84H108Cl8N12O16S4 — CID 159314507

About (5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione

(5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione (PubChem CID 159314507) has the molecular formula C84H108Cl8N12O16S4 and a molecular weight of 1953.75 g/mol. Its IUPAC name is (5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione
• PubChem CID: 159314507
• Molecular Formula: C84H108Cl8N12O16S4
• Molecular Weight: 1953.75 g/mol
• Exact Mass: 1948.44
• IUPAC Name: (5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione
• SMILES: CSCC[C@@]1(C[C@@H](C)C(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)NC(=O)CC1=O.CSCC[C@]1(C[C@H](C)C(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)NC(=O)CC1=O.C[C@@H](C[C@@]1(CCS(C)(=O)=O)NC(=O)CC1=O)C(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1.C[C@H](C[C@]1(CCS(C)(=O)=O)NC(=O)CC1=O)C(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1
• InChI: InChI=1S/2C21H27Cl2N3O5S.2C21H27Cl2N3O3S/c2*1-14(13-21(3-8-32(2,30)31)18(27)12-19(28)24-21)20(29)26-6-4-25(5-7-26)17-10-15(22)9-16(23)11-17;2*1-14(13-21(3-8-30-2)18(27)12-19(28)24-21)20(29)26-6-4-25(5-7-26)17-10-15(22)9-16(23)11-17/h2*9-11,14H,3-8,12-13H2,1-2H3,(H,24,28);2*9-11,14H,3-8,12-13H2,1-2H3,(H,24,28)/t4*14-,21+/m1010/s1
• InChIKey: LCYTZGAXFCRHJT-JAXFJYMXSA-N
• XLogP: 10.36
• TPSA: 347.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 28
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1953.75
LogP ≤ 5	10.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione?

The IUPAC name of (5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione (CID 159314507) is (5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione?

The canonical SMILES for (5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione is CSCC[C@@]1(C[C@@H](C)C(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)NC(=O)CC1=O.CSCC[C@]1(C[C@H](C)C(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)NC(=O)CC1=O.C[C@@H](C[C@@]1(CCS(C)(=O)=O)NC(=O)CC1=O)C(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1.C[C@H](C[C@]1(CCS(C)(=O)=O)NC(=O)CC1=O)C(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1.

What is the InChIKey of (5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione?

The InChIKey is LCYTZGAXFCRHJT-JAXFJYMXSA-N. The full InChI is InChI=1S/2C21H27Cl2N3O5S.2C21H27Cl2N3O3S/c2*1-14(13-21(3-8-32(2,30)31)18(27)12-19(28)24-21)20(29)26-6-4-25(5-7-26)17-10-15(22)9-16(23)11-17;2*1-14(13-21(3-8-30-2)18(27)12-19(28)24-21)20(29)26-6-4-25(5-7-26)17-10-15(22)9-16(23)11-17/h2*9-11,14H,3-8,12-13H2,1-2H3,(H,24,28);2*9-11,14H,3-8,12-13H2,1-2H3,(H,24,28)/t4*14-,21+/m1010/s1.

What are the key properties of (5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione?

(5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione has a molecular weight of 1953.75 g/mol, XLogP of 10.36, 28 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione is sourced from PubChem (CID 159314507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).