3-[(3-amino-2-pyridinyl)sulfanyl]piperidine-2,6-dione;3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-methylidenepiperidin-2-one;3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]piperidine-2,6-dione;methane;3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]piperidine-2,6-dione;7-methyl-2-(2-methylidene-6-oxopiperidin-3-yl)sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one;3-(4-methylphenyl)sulfanylpiperidine-2,6-dione;3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine-2,6-dione

C90H99ClFN21O13S10 — CID 159248159

About 3-[(3-amino-2-pyridinyl)sulfanyl]piperidine-2,6-dione;3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-methylidenepiperidin-2-one;3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]piperidine-2,6-dione;methane;3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]piperidine-2,6-dione;7-methyl-2-(2-methylidene-6-oxopiperidin-3-yl)sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one;3-(4-methylphenyl)sulfanylpiperidine-2,6-dione;3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine-2,6-dione

3-[(3-amino-2-pyridinyl)sulfanyl]piperidine-2,6-dione;3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-methylidenepiperidin-2-one;3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]piperidine-2,6-dione;methane;3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]piperidine-2,6-dione;7-methyl-2-(2-methylidene-6-oxopiperidin-3-yl)sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one;3-(4-methylphenyl)sulfanylpiperidine-2,6-dione;3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine-2,6-dione (PubChem CID 159248159) has the molecular formula C90H99ClFN21O13S10 and a molecular weight of 2058.04 g/mol. Its IUPAC name is 3-[(3-amino-2-pyridinyl)sulfanyl]piperidine-2,6-dione;3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-methylidenepiperidin-2-one;3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]piperidine-2,6-dione;methane;3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]piperidine-2,6-dione;7-methyl-2-(2-methylidene-6-oxopiperidin-3-yl)sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one;3-(4-methylphenyl)sulfanylpiperidine-2,6-dione;3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[(3-amino-2-pyridinyl)sulfanyl]piperidine-2,6-dione;3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-methylidenepiperidin-2-one;3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]piperidine-2,6-dione;methane;3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]piperidine-2,6-dione;7-methyl-2-(2-methylidene-6-oxopiperidin-3-yl)sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one;3-(4-methylphenyl)sulfanylpiperidine-2,6-dione;3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine-2,6-dione
• PubChem CID: 159248159
• Molecular Formula: C90H99ClFN21O13S10
• Molecular Weight: 2058.04 g/mol
• Exact Mass: 2055.46
• IUPAC Name: 3-[(3-amino-2-pyridinyl)sulfanyl]piperidine-2,6-dione;3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-methylidenepiperidin-2-one;3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]piperidine-2,6-dione;methane;3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]piperidine-2,6-dione;7-methyl-2-(2-methylidene-6-oxopiperidin-3-yl)sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one;3-(4-methylphenyl)sulfanylpiperidine-2,6-dione;3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine-2,6-dione
• SMILES: C.C.C=C1CCC(Sc2nc3ccc(Cl)cc3[nH]2)C(=O)N1.C=C1NC(=O)CCC1Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC(C)C3.CNc1nnc(SC2CCC(=O)NC2=O)s1.Cc1ccc(SC2CCC(=O)NC2=O)cc1.Cc1nnc(SC2CCC(=O)NC2=O)s1.Cn1c(SC2CCC(=O)NC2=O)nnc1-c1ccccc1F.Nc1cccnc1SC1CCC(=O)NC1=O
• InChI: InChI=1S/C23H23N3O2S2.C14H13FN4O2S.C13H12ClN3OS.C12H13NO2S.C10H11N3O2S.C8H10N4O2S2.C8H9N3O2S2.2CH4/c1-13-8-9-16-18(12-13)29-21-20(16)22(28)26(15-6-4-3-5-7-15)23(25-21)30-17-10-11-19(27)24-14(17)2;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;1-7-2-5-11(12(18)15-7)19-13-16-9-4-3-8(14)6-10(9)17-13;1-8-2-4-9(5-3-8)16-10-6-7-11(14)13-12(10)15;11-6-2-1-5-12-10(6)16-7-3-4-8(14)13-9(7)15;1-9-7-11-12-8(16-7)15-4-2-3-5(13)10-6(4)14;1-4-10-11-8(14-4)15-5-2-3-6(12)9-7(5)13;;/h3-7,13,17H,2,8-12H2,1H3,(H,24,27);2-5,10H,6-7H2,1H3,(H,16,20,21);3-4,6,11H,1-2,5H2,(H,15,18)(H,16,17);2-5,10H,6-7H2,1H3,(H,13,14,15);1-2,5,7H,3-4,11H2,(H,13,14,15);4H,2-3H2,1H3,(H,9,11)(H,10,13,14);5H,2-3H2,1H3,(H,9,12,13);2*1H4
• InChIKey: KUYCMEUFSSFPMZ-UHFFFAOYSA-N
• XLogP: 14.02
• TPSA: 485.83 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 17
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2058.04
LogP ≤ 5	14.02
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-[(3-amino-2-pyridinyl)sulfanyl]piperidine-2,6-dione;3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-methylidenepiperidin-2-one;3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]piperidine-2,6-dione;methane;3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]piperidine-2,6-dione;7-methyl-2-(2-methylidene-6-oxopiperidin-3-yl)sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one;3-(4-methylphenyl)sulfanylpiperidine-2,6-dione;3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine-2,6-dione (CID 159248159) is 3-[(3-amino-2-pyridinyl)sulfanyl]piperidine-2,6-dione;3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-methylidenepiperidin-2-one;3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]piperidine-2,6-dione;methane;3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]piperidine-2,6-dione;7-methyl-2-(2-methylidene-6-oxopiperidin-3-yl)sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one;3-(4-methylphenyl)sulfanylpiperidine-2,6-dione;3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine-2,6-dione.

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

The canonical SMILES for 3-[(3-amino-2-pyridinyl)sulfanyl]piperidine-2,6-dione;3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-methylidenepiperidin-2-one;3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]piperidine-2,6-dione;methane;3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]piperidine-2,6-dione;7-methyl-2-(2-methylidene-6-oxopiperidin-3-yl)sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one;3-(4-methylphenyl)sulfanylpiperidine-2,6-dione;3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine-2,6-dione is C.C.C=C1CCC(Sc2nc3ccc(Cl)cc3[nH]2)C(=O)N1.C=C1NC(=O)CCC1Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC(C)C3.CNc1nnc(SC2CCC(=O)NC2=O)s1.Cc1ccc(SC2CCC(=O)NC2=O)cc1.Cc1nnc(SC2CCC(=O)NC2=O)s1.Cn1c(SC2CCC(=O)NC2=O)nnc1-c1ccccc1F.Nc1cccnc1SC1CCC(=O)NC1=O.

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

The InChIKey is KUYCMEUFSSFPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S2.C14H13FN4O2S.C13H12ClN3OS.C12H13NO2S.C10H11N3O2S.C8H10N4O2S2.C8H9N3O2S2.2CH4/c1-13-8-9-16-18(12-13)29-21-20(16)22(28)26(15-6-4-3-5-7-15)23(25-21)30-17-10-11-19(27)24-14(17)2;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;1-7-2-5-11(12(18)15-7)19-13-16-9-4-3-8(14)6-10(9)17-13;1-8-2-4-9(5-3-8)16-10-6-7-11(14)13-12(10)15;11-6-2-1-5-12-10(6)16-7-3-4-8(14)13-9(7)15;1-9-7-11-12-8(16-7)15-4-2-3-5(13)10-6(4)14;1-4-10-11-8(14-4)15-5-2-3-6(12)9-7(5)13;;/h3-7,13,17H,2,8-12H2,1H3,(H,24,27);2-5,10H,6-7H2,1H3,(H,16,20,21);3-4,6,11H,1-2,5H2,(H,15,18)(H,16,17);2-5,10H,6-7H2,1H3,(H,13,14,15);1-2,5,7H,3-4,11H2,(H,13,14,15);4H,2-3H2,1H3,(H,9,11)(H,10,13,14);5H,2-3H2,1H3,(H,9,12,13);2*1H4.

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

3-[(3-amino-2-pyridinyl)sulfanyl]piperidine-2,6-dione;3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-methylidenepiperidin-2-one;3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]piperidine-2,6-dione;methane;3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]piperidine-2,6-dione;7-methyl-2-(2-methylidene-6-oxopiperidin-3-yl)sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one;3-(4-methylphenyl)sulfanylpiperidine-2,6-dione;3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine-2,6-dione has a molecular weight of 2058.04 g/mol, XLogP of 14.02, 17 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-amino-2-pyridinyl)sulfanyl]piperidine-2,6-dione;3-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-methylidenepiperidin-2-one;3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]piperidine-2,6-dione;methane;3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]piperidine-2,6-dione;7-methyl-2-(2-methylidene-6-oxopiperidin-3-yl)sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one;3-(4-methylphenyl)sulfanylpiperidine-2,6-dione;3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]piperidine-2,6-dione is sourced from PubChem (CID 159248159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).