[(2S,5R)-5-[[2-(4-methoxybutyl)-6-methyl-4-pyridinyl]-(4-methylphenyl)sulfonylmethoxy]piperidin-2-yl]methoxy-tri(propan-2-yl)silane

C34H56N2O5SSi — CID 68847446

IUPAC[(2S,5R)-5-[[2-(4-methoxybutyl)-6-methyl-4-pyridinyl]-(4-methylphenyl)sulfonylmethoxy]piperidin-2-yl]methoxy-tri(propan-2-yl)silane
SMILESCOCCCCc1cc(C(O[C@@H]2CC[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)NC2)S(=O)(=O)c2ccc(C)cc2)cc(C)n1
InChIInChI=1S/C34H56N2O5SSi/c1-24(2)43(25(3)4,26(5)6)40-23-31-15-16-32(22-35-31)41-34(42(37,38)33-17-13-27(7)14-18-33)29-20-28(8)36-30(21-29)12-10-11-19-39-9/h13-14,17-18,20-21,24-26,31-32,34-35H,10-12,15-16,19,22-23H2,1-9H3/t31-,32+,34?/m0/s1
InChIKeyRBCYBXUNXUGDQC-MCYVLLSASA-N
MW632.98 g/mol
LogP7.47
Rot. Bonds16

About [(2S,5R)-5-[[2-(4-methoxybutyl)-6-methyl-4-pyridinyl]-(4-methylphenyl)sulfonylmethoxy]piperidin-2-yl]methoxy-tri(propan-2-yl)silane

[(2S,5R)-5-[[2-(4-methoxybutyl)-6-methyl-4-pyridinyl]-(4-methylphenyl)sulfonylmethoxy]piperidin-2-yl]methoxy-tri(propan-2-yl)silane (PubChem CID 68847446) has the molecular formula C34H56N2O5SSi and a molecular weight of 632.98 g/mol. Its IUPAC name is [(2S,5R)-5-[[2-(4-methoxybutyl)-6-methyl-4-pyridinyl]-(4-methylphenyl)sulfonylmethoxy]piperidin-2-yl]methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2S,5R)-5-[[2-(4-methoxybutyl)-6-methyl-4-pyridinyl]-(4-methylphenyl)sulfonylmethoxy]piperidin-2-yl]methoxy-tri(propan-2-yl)silane
PubChem CID68847446
Molecular FormulaC34H56N2O5SSi
Molecular Weight632.98 g/mol
Exact Mass632.37
IUPAC Name[(2S,5R)-5-[[2-(4-methoxybutyl)-6-methyl-4-pyridinyl]-(4-methylphenyl)sulfonylmethoxy]piperidin-2-yl]methoxy-tri(propan-2-yl)silane
SMILESCOCCCCc1cc(C(O[C@@H]2CC[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)NC2)S(=O)(=O)c2ccc(C)cc2)cc(C)n1
InChIInChI=1S/C34H56N2O5SSi/c1-24(2)43(25(3)4,26(5)6)40-23-31-15-16-32(22-35-31)41-34(42(37,38)33-17-13-27(7)14-18-33)29-20-28(8)36-30(21-29)12-10-11-19-39-9/h13-14,17-18,20-21,24-26,31-32,34-35H,10-12,15-16,19,22-23H2,1-9H3/t31-,32+,34?/m0/s1
InChIKeyRBCYBXUNXUGDQC-MCYVLLSASA-N
XLogP7.47
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.98
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(2S,5R)-5-[[2-(4-methoxybutyl)-6-methyl-4-pyridinyl]-(4-methylphenyl)sulfonylmethoxy]piperidin-2-yl]methoxy-tri(propan-2-yl)silane with MolForge

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Related Compounds

2-[4-(Methylsulfonyl)phenyl]-5-[(piperidin-4-yloxy)methyl]pyridine
CID 59718579
[(2S,5R)-5-[[2-(4-methoxybutyl)-6-methyl-4-pyridinyl]methoxy]-1-(4-methylphenyl)sulfonylpiperidin-2-yl]methanol
CID 68843273
[(2S,5R)-5-[[2-(4-methoxybutyl)-6-methyl-4-pyridinyl]methoxy]-1-(4-methylphenyl)sulfonylpiperidin-2-yl]methoxy-tri(propan-2-yl)silane
CID 68847445
4-[[(3R,6S)-6-(bromomethyl)piperidin-3-yl]oxy-(4-methylphenyl)sulfonylmethyl]-2-(4-methoxybutyl)-6-methylpyridine
CID 68848139
[(2S,5R)-5-[[2-(4-methoxybutyl)-6-methyl-4-pyridinyl]methoxy]-1-(4-methylphenyl)sulfonylpiperidin-2-yl]methyl methanesulfonate
CID 87615643
[5-[[2-(4-Methoxybutyl)-6-methyl-4-pyridinyl]methoxy]-1-(4-methylphenyl)sulfonylpiperidin-2-yl]methyl methanesulfonate
CID 87615645

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-[[2-(4-methoxybutyl)-6-methyl-4-pyridinyl]-(4-methylphenyl)sulfonylmethoxy]piperidin-2-yl]methoxy-tri(propan-2-yl)silane?
The IUPAC name of [(2S,5R)-5-[[2-(4-methoxybutyl)-6-methyl-4-pyridinyl]-(4-methylphenyl)sulfonylmethoxy]piperidin-2-yl]methoxy-tri(propan-2-yl)silane (CID 68847446) is [(2S,5R)-5-[[2-(4-methoxybutyl)-6-methyl-4-pyridinyl]-(4-methylphenyl)sulfonylmethoxy]piperidin-2-yl]methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2S,5R)-5-[[2-(4-methoxybutyl)-6-methyl-4-pyridinyl]-(4-methylphenyl)sulfonylmethoxy]piperidin-2-yl]methoxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2S,5R)-5-[[2-(4-methoxybutyl)-6-methyl-4-pyridinyl]-(4-methylphenyl)sulfonylmethoxy]piperidin-2-yl]methoxy-tri(propan-2-yl)silane is COCCCCc1cc(C(O[C@@H]2CC[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)NC2)S(=O)(=O)c2ccc(C)cc2)cc(C)n1.
What is the InChIKey of [(2S,5R)-5-[[2-(4-methoxybutyl)-6-methyl-4-pyridinyl]-(4-methylphenyl)sulfonylmethoxy]piperidin-2-yl]methoxy-tri(propan-2-yl)silane?
The InChIKey is RBCYBXUNXUGDQC-MCYVLLSASA-N. The full InChI is InChI=1S/C34H56N2O5SSi/c1-24(2)43(25(3)4,26(5)6)40-23-31-15-16-32(22-35-31)41-34(42(37,38)33-17-13-27(7)14-18-33)29-20-28(8)36-30(21-29)12-10-11-19-39-9/h13-14,17-18,20-21,24-26,31-32,34-35H,10-12,15-16,19,22-23H2,1-9H3/t31-,32+,34?/m0/s1.
What are the key properties of [(2S,5R)-5-[[2-(4-methoxybutyl)-6-methyl-4-pyridinyl]-(4-methylphenyl)sulfonylmethoxy]piperidin-2-yl]methoxy-tri(propan-2-yl)silane?
[(2S,5R)-5-[[2-(4-methoxybutyl)-6-methyl-4-pyridinyl]-(4-methylphenyl)sulfonylmethoxy]piperidin-2-yl]methoxy-tri(propan-2-yl)silane has a molecular weight of 632.98 g/mol, XLogP of 7.47, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-[[2-(4-methoxybutyl)-6-methyl-4-pyridinyl]-(4-methylphenyl)sulfonylmethoxy]piperidin-2-yl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 68847446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).