1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-3H-1,3-thiazole-2-thione;methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate

C46H85ClN4O6S2Si3 — CID 159738820

About 1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-3H-1,3-thiazole-2-thione;methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate

1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-3H-1,3-thiazole-2-thione;methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate (PubChem CID 159738820) has the molecular formula C46H85ClN4O6S2Si3 and a molecular weight of 974.05 g/mol. Its IUPAC name is 1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-3H-1,3-thiazole-2-thione;methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate.

Molecular Properties

• Compound Name: 1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-3H-1,3-thiazole-2-thione;methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
• PubChem CID: 159738820
• Molecular Formula: C46H85ClN4O6S2Si3
• Molecular Weight: 974.05 g/mol
• Exact Mass: 972.49
• IUPAC Name: 1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-3H-1,3-thiazole-2-thione;methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
• SMILES: CN1CC=C(C(=O)CCl)C[C@@H]1CO[Si](C)(C)C(C)(C)C.CN1CC=C(c2csc(=S)[nH]2)C[C@@H]1CO[Si](C)(C)C(C)(C)C.COC(=O)C1=CCN(C)[C@@H](CO[Si](C)(C)C(C)(C)C)C1
• InChI: InChI=1S/C16H28N2OS2Si.C15H28ClNO2Si.C15H29NO3Si/c1-16(2,3)22(5,6)19-10-13-9-12(7-8-18(13)4)14-11-21-15(20)17-14;1-15(2,3)20(5,6)19-11-13-9-12(14(18)10-16)7-8-17(13)4;1-15(2,3)20(6,7)19-11-13-10-12(14(17)18-5)8-9-16(13)4/h7,11,13H,8-10H2,1-6H3,(H,17,20);7,13H,8-11H2,1-6H3;8,13H,9-11H2,1-7H3/t3*13-/m111/s1
• InChIKey: NCEJVRAMRHCGQF-KZTZSWHLSA-N
• XLogP: 11.17
• TPSA: 96.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	974.05
LogP ≤ 5	11.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-3H-1,3-thiazole-2-thione;methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate?

The IUPAC name of 1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-3H-1,3-thiazole-2-thione;methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate (CID 159738820) is 1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-3H-1,3-thiazole-2-thione;methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate.

What is the SMILES notation for 1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-3H-1,3-thiazole-2-thione;methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate?

The canonical SMILES for 1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-3H-1,3-thiazole-2-thione;methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate is CN1CC=C(C(=O)CCl)C[C@@H]1CO[Si](C)(C)C(C)(C)C.CN1CC=C(c2csc(=S)[nH]2)C[C@@H]1CO[Si](C)(C)C(C)(C)C.COC(=O)C1=CCN(C)[C@@H](CO[Si](C)(C)C(C)(C)C)C1.

What is the InChIKey of 1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-3H-1,3-thiazole-2-thione;methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate?

The InChIKey is NCEJVRAMRHCGQF-KZTZSWHLSA-N. The full InChI is InChI=1S/C16H28N2OS2Si.C15H28ClNO2Si.C15H29NO3Si/c1-16(2,3)22(5,6)19-10-13-9-12(7-8-18(13)4)14-11-21-15(20)17-14;1-15(2,3)20(5,6)19-11-13-9-12(14(18)10-16)7-8-17(13)4;1-15(2,3)20(6,7)19-11-13-10-12(14(17)18-5)8-9-16(13)4/h7,11,13H,8-10H2,1-6H3,(H,17,20);7,13H,8-11H2,1-6H3;8,13H,9-11H2,1-7H3/t3*13-/m111/s1.

What are the key properties of 1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-3H-1,3-thiazole-2-thione;methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate?

1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-3H-1,3-thiazole-2-thione;methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate has a molecular weight of 974.05 g/mol, XLogP of 11.17, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-3H-1,3-thiazole-2-thione;methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate is sourced from PubChem (CID 159738820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).