[(2R,3R)-2-(benzenesulfonylmethyl)piperidin-3-yl]oxy-tri(propan-2-yl)silane

C21H37NO3SSi — CID 11047898

IUPAC[(2R,3R)-2-(benzenesulfonylmethyl)piperidin-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@@H]1CCCN[C@H]1CS(=O)(=O)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C21H37NO3SSi/c1-16(2)27(17(3)4,18(5)6)25-21-13-10-14-22-20(21)15-26(23,24)19-11-8-7-9-12-19/h7-9,11-12,16-18,20-22H,10,13-15H2,1-6H3/t20-,21+/m0/s1
InChIKeyFBLSXXCLKFOLMW-LEWJYISDSA-N
MW411.68 g/mol
LogP4.77
Rot. Bonds8

About [(2R,3R)-2-(benzenesulfonylmethyl)piperidin-3-yl]oxy-tri(propan-2-yl)silane

[(2R,3R)-2-(benzenesulfonylmethyl)piperidin-3-yl]oxy-tri(propan-2-yl)silane (PubChem CID 11047898) has the molecular formula C21H37NO3SSi and a molecular weight of 411.68 g/mol. Its IUPAC name is [(2R,3R)-2-(benzenesulfonylmethyl)piperidin-3-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2R,3R)-2-(benzenesulfonylmethyl)piperidin-3-yl]oxy-tri(propan-2-yl)silane
PubChem CID11047898
Molecular FormulaC21H37NO3SSi
Molecular Weight411.68 g/mol
Exact Mass411.23
IUPAC Name[(2R,3R)-2-(benzenesulfonylmethyl)piperidin-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@@H]1CCCN[C@H]1CS(=O)(=O)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C21H37NO3SSi/c1-16(2)27(17(3)4,18(5)6)25-21-13-10-14-22-20(21)15-26(23,24)19-11-8-7-9-12-19/h7-9,11-12,16-18,20-22H,10,13-15H2,1-6H3/t20-,21+/m0/s1
InChIKeyFBLSXXCLKFOLMW-LEWJYISDSA-N
XLogP4.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.68
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1S,4R)-3-(benzenesulfonyl)-4-thiomorpholin-4-ylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 340335
Tert-butyl-[(6-methyl-1,1-dioxo-1,4-thiazinan-3-yl)methoxy]-diphenylsilane
CID 174155987
[3-(Benzenesulfonyl)-4-thiomorpholin-4-ylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 3928935
methyl 3-[(2R,3R)-2-(benzenesulfonylmethyl)-3-tri(propan-2-yl)silyloxypiperidin-1-yl]propanoate
CID 11016537
ethyl 2-[(2S,3R)-2-(benzenesulfonylmethyl)-3-tri(propan-2-yl)silyloxypiperidin-1-yl]acetate
CID 11237320
[(2R,3R)-2-(benzenesulfonylmethyl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane
CID 11326984
Ethyl (2R,3R)-2-[(phenylsulfonyl)methyl]-3-[[tris(1-methylethyl)silyl]oxy]-1-piperidineacetate
CID 11375420
[(1R,9R,9aR)-9-(benzenesulfonyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tri(propan-2-yl)silane
CID 11442347
(E,4R)-6-(benzenesulfonyl)-4-tri(propan-2-yl)silyloxyhex-5-en-1-amine
CID 11466636
(2S,3R)-2-(benzenesulfonylmethyl)piperidin-3-ol
CID 101697694
(2R,3S)-2-(benzenesulfonylmethyl)piperidin-3-ol
CID 101697695
(2S,3S)-2-(benzenesulfonylmethyl)piperidin-3-ol
CID 101697696

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-(benzenesulfonylmethyl)piperidin-3-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(2R,3R)-2-(benzenesulfonylmethyl)piperidin-3-yl]oxy-tri(propan-2-yl)silane (CID 11047898) is [(2R,3R)-2-(benzenesulfonylmethyl)piperidin-3-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2R,3R)-2-(benzenesulfonylmethyl)piperidin-3-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2R,3R)-2-(benzenesulfonylmethyl)piperidin-3-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](O[C@@H]1CCCN[C@H]1CS(=O)(=O)c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of [(2R,3R)-2-(benzenesulfonylmethyl)piperidin-3-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is FBLSXXCLKFOLMW-LEWJYISDSA-N. The full InChI is InChI=1S/C21H37NO3SSi/c1-16(2)27(17(3)4,18(5)6)25-21-13-10-14-22-20(21)15-26(23,24)19-11-8-7-9-12-19/h7-9,11-12,16-18,20-22H,10,13-15H2,1-6H3/t20-,21+/m0/s1.
What are the key properties of [(2R,3R)-2-(benzenesulfonylmethyl)piperidin-3-yl]oxy-tri(propan-2-yl)silane?
[(2R,3R)-2-(benzenesulfonylmethyl)piperidin-3-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 411.68 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-(benzenesulfonylmethyl)piperidin-3-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11047898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).