tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium

C18H32F2N2O2SSi — CID 175130327

IUPACtert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium
SMILESCC(C)(C)[S+]([O-])NC(CO[Si](C)(C)C(C)(C)C)C(F)(F)c1ccccn1
InChIInChI=1S/C18H32F2N2O2SSi/c1-16(2,3)25(23)22-15(13-24-26(7,8)17(4,5)6)18(19,20)14-11-9-10-12-21-14/h9-12,15,22H,13H2,1-8H3
InChIKeyYDVWEAXYDRAFOW-UHFFFAOYSA-N
MW406.62 g/mol
LogP4.62
Rot. Bonds7

About tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium

tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium (PubChem CID 175130327) has the molecular formula C18H32F2N2O2SSi and a molecular weight of 406.62 g/mol. Its IUPAC name is tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium.

Molecular Properties

Compound Nametert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium
PubChem CID175130327
Molecular FormulaC18H32F2N2O2SSi
Molecular Weight406.62 g/mol
Exact Mass406.19
IUPAC Nametert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium
SMILESCC(C)(C)[S+]([O-])NC(CO[Si](C)(C)C(C)(C)C)C(F)(F)c1ccccn1
InChIInChI=1S/C18H32F2N2O2SSi/c1-16(2,3)25(23)22-15(13-24-26(7,8)17(4,5)6)18(19,20)14-11-9-10-12-21-14/h9-12,15,22H,13H2,1-8H3
InChIKeyYDVWEAXYDRAFOW-UHFFFAOYSA-N
XLogP4.62
TPSA57.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.62
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium with MolForge

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Launch Full Analysis

Related Compounds

(R)-N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide
CID 140879191
tert-butyl-[[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium
CID 175131199
tert-butyl-[[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)ethyl]amino]-oxidosulfanium
CID 174146305
tert-butyl-[[(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-phenylmethoxy-1-pyridin-2-ylbutan-2-yl]amino]-oxidosulfanium
CID 175143578
[[1-(benzenesulfonyl)-1,1,5,5,5-pentafluoropentan-2-yl]amino]-tert-butyl-oxidosulfanium
CID 174220146
2-(1,1-difluoro-2-methylpropyl)pyridine
CID 116841481
tert-butyl-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]amino]-oxidosulfanium
CID 175168614
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1,1-dipyridin-2-ylpropan-1-ol
CID 10970004
2-(1,1-difluoropropyl)pyridine
CID 59088790
tert-butyl-dimethyl-[(2S)-2-methyl-3-phenoxypropoxy]silane
CID 141099859
[[(3R,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhexan-3-yl]amino]-tert-butyl-oxidosulfanium
CID 175296178
2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
CID 11459395

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium?
The IUPAC name of tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium (CID 175130327) is tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium.
What is the SMILES notation for tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium?
The canonical SMILES for tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium is CC(C)(C)[S+]([O-])NC(CO[Si](C)(C)C(C)(C)C)C(F)(F)c1ccccn1.
What is the InChIKey of tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium?
The InChIKey is YDVWEAXYDRAFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F2N2O2SSi/c1-16(2,3)25(23)22-15(13-24-26(7,8)17(4,5)6)18(19,20)14-11-9-10-12-21-14/h9-12,15,22H,13H2,1-8H3.
What are the key properties of tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium?
tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium has a molecular weight of 406.62 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]amino]-oxidosulfanium is sourced from PubChem (CID 175130327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).