3-(3-aminopyrazin-2-yl)sulfanylpiperidine-2,6-dione;3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]piperidine-2,6-dione;3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione;3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]piperidine-2,6-dione;3-[(7-methyl-4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]piperidine-2,6-dione

C83H82ClF2N23O15S10 — CID 159073630

About 3-(3-aminopyrazin-2-yl)sulfanylpiperidine-2,6-dione;3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]piperidine-2,6-dione;3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione;3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]piperidine-2,6-dione;3-[(7-methyl-4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]piperidine-2,6-dione

3-(3-aminopyrazin-2-yl)sulfanylpiperidine-2,6-dione;3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]piperidine-2,6-dione;3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione;3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]piperidine-2,6-dione;3-[(7-methyl-4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]piperidine-2,6-dione (PubChem CID 159073630) has the molecular formula C83H82ClF2N23O15S10 and a molecular weight of 2035.83 g/mol. Its IUPAC name is 3-(3-aminopyrazin-2-yl)sulfanylpiperidine-2,6-dione;3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]piperidine-2,6-dione;3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione;3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]piperidine-2,6-dione;3-[(7-methyl-4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-(3-aminopyrazin-2-yl)sulfanylpiperidine-2,6-dione;3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]piperidine-2,6-dione;3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione;3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]piperidine-2,6-dione;3-[(7-methyl-4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]piperidine-2,6-dione
• PubChem CID: 159073630
• Molecular Formula: C83H82ClF2N23O15S10
• Molecular Weight: 2035.83 g/mol
• Exact Mass: 2033.32
• IUPAC Name: 3-(3-aminopyrazin-2-yl)sulfanylpiperidine-2,6-dione;3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]piperidine-2,6-dione;3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione;3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]piperidine-2,6-dione;3-[(7-methyl-4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]piperidine-2,6-dione
• SMILES: CC1CCc2c(sc3nc(SC4CCC(=O)NC4=O)n(-c4ccccc4)c(=O)c23)C1.CNc1nnc(SC2CCC(=O)NC2=O)s1.Cn1c(SC2CCC(=O)NC2=O)nnc1-c1ccccc1F.Nc1nccnc1SC1CCC(=O)NC1=O.Nc1nnc(SC2CCC(=O)NC2=O)s1.O=C1CCC(Sc2ccc(F)cc2)C(=O)N1.O=C1CCC(Sc2nc3ccc(Cl)cc3[nH]2)C(=O)N1
• InChI: InChI=1S/C22H21N3O3S2.C14H13FN4O2S.C12H10ClN3O2S.C11H10FNO2S.C9H10N4O2S.C8H10N4O2S2.C7H8N4O2S2/c1-12-7-8-14-16(11-12)29-20-18(14)21(28)25(13-5-3-2-4-6-13)22(24-20)30-15-9-10-17(26)23-19(15)27;1-19-12(8-4-2-3-5-9(8)15)17-18-14(19)22-10-6-7-11(20)16-13(10)21;13-6-1-2-7-8(5-6)15-12(14-7)19-9-3-4-10(17)16-11(9)18;12-7-1-3-8(4-2-7)16-9-5-6-10(14)13-11(9)15;10-7-9(12-4-3-11-7)16-5-1-2-6(14)13-8(5)15;1-9-7-11-12-8(16-7)15-4-2-3-5(13)10-6(4)14;8-6-10-11-7(15-6)14-3-1-2-4(12)9-5(3)13/h2-6,12,15H,7-11H2,1H3,(H,23,26,27);2-5,10H,6-7H2,1H3,(H,16,20,21);1-2,5,9H,3-4H2,(H,14,15)(H,16,17,18);1-4,9H,5-6H2,(H,13,14,15);3-5H,1-2H2,(H2,10,11)(H,13,14,15);4H,2-3H2,1H3,(H,9,11)(H,10,13,14);3H,1-2H2,(H2,8,10)(H,9,12,13)
• InChIKey: JZYYKHNLCDBDEQ-UHFFFAOYSA-N
• XLogP: 9.28
• TPSA: 558.88 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 40
• Rotatable Bonds: 17
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2035.83
LogP ≤ 5	9.28
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopyrazin-2-yl)sulfanylpiperidine-2,6-dione;3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]piperidine-2,6-dione;3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione;3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]piperidine-2,6-dione;3-[(7-methyl-4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]piperidine-2,6-dione?

The IUPAC name of 3-(3-aminopyrazin-2-yl)sulfanylpiperidine-2,6-dione;3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]piperidine-2,6-dione;3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione;3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]piperidine-2,6-dione;3-[(7-methyl-4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]piperidine-2,6-dione (CID 159073630) is 3-(3-aminopyrazin-2-yl)sulfanylpiperidine-2,6-dione;3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]piperidine-2,6-dione;3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione;3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]piperidine-2,6-dione;3-[(7-methyl-4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]piperidine-2,6-dione.

What is the SMILES notation for 3-(3-aminopyrazin-2-yl)sulfanylpiperidine-2,6-dione;3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]piperidine-2,6-dione;3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione;3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]piperidine-2,6-dione;3-[(7-methyl-4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]piperidine-2,6-dione?

The canonical SMILES for 3-(3-aminopyrazin-2-yl)sulfanylpiperidine-2,6-dione;3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]piperidine-2,6-dione;3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione;3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]piperidine-2,6-dione;3-[(7-methyl-4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]piperidine-2,6-dione is CC1CCc2c(sc3nc(SC4CCC(=O)NC4=O)n(-c4ccccc4)c(=O)c23)C1.CNc1nnc(SC2CCC(=O)NC2=O)s1.Cn1c(SC2CCC(=O)NC2=O)nnc1-c1ccccc1F.Nc1nccnc1SC1CCC(=O)NC1=O.Nc1nnc(SC2CCC(=O)NC2=O)s1.O=C1CCC(Sc2ccc(F)cc2)C(=O)N1.O=C1CCC(Sc2nc3ccc(Cl)cc3[nH]2)C(=O)N1.

What is the InChIKey of 3-(3-aminopyrazin-2-yl)sulfanylpiperidine-2,6-dione;3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]piperidine-2,6-dione;3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione;3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]piperidine-2,6-dione;3-[(7-methyl-4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]piperidine-2,6-dione?

The InChIKey is JZYYKHNLCDBDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S2.C14H13FN4O2S.C12H10ClN3O2S.C11H10FNO2S.C9H10N4O2S.C8H10N4O2S2.C7H8N4O2S2/c1-12-7-8-14-16(11-12)29-20-18(14)21(28)25(13-5-3-2-4-6-13)22(24-20)30-15-9-10-17(26)23-19(15)27;1-19-12(8-4-2-3-5-9(8)15)17-18-14(19)22-10-6-7-11(20)16-13(10)21;13-6-1-2-7-8(5-6)15-12(14-7)19-9-3-4-10(17)16-11(9)18;12-7-1-3-8(4-2-7)16-9-5-6-10(14)13-11(9)15;10-7-9(12-4-3-11-7)16-5-1-2-6(14)13-8(5)15;1-9-7-11-12-8(16-7)15-4-2-3-5(13)10-6(4)14;8-6-10-11-7(15-6)14-3-1-2-4(12)9-5(3)13/h2-6,12,15H,7-11H2,1H3,(H,23,26,27);2-5,10H,6-7H2,1H3,(H,16,20,21);1-2,5,9H,3-4H2,(H,14,15)(H,16,17,18);1-4,9H,5-6H2,(H,13,14,15);3-5H,1-2H2,(H2,10,11)(H,13,14,15);4H,2-3H2,1H3,(H,9,11)(H,10,13,14);3H,1-2H2,(H2,8,10)(H,9,12,13).

What are the key properties of 3-(3-aminopyrazin-2-yl)sulfanylpiperidine-2,6-dione;3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]piperidine-2,6-dione;3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione;3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]piperidine-2,6-dione;3-[(7-methyl-4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]piperidine-2,6-dione?

3-(3-aminopyrazin-2-yl)sulfanylpiperidine-2,6-dione;3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]piperidine-2,6-dione;3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione;3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]piperidine-2,6-dione;3-[(7-methyl-4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]piperidine-2,6-dione has a molecular weight of 2035.83 g/mol, XLogP of 9.28, 17 rotatable bonds, 11 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-aminopyrazin-2-yl)sulfanylpiperidine-2,6-dione;3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]piperidine-2,6-dione;3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]piperidine-2,6-dione;3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione;3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]piperidine-2,6-dione;3-[(7-methyl-4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]piperidine-2,6-dione is sourced from PubChem (CID 159073630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).