(R)-N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide

C18H32F2N2O2SSi — CID 140879191

IUPAC(R)-N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](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/t15-,25+/m0/s1
InChIKeyYDVWEAXYDRAFOW-ODCWNRFASA-N
MW406.62 g/mol
LogP4.62
Rot. Bonds7

About (R)-N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 140879191) has the molecular formula C18H32F2N2O2SSi and a molecular weight of 406.62 g/mol. Its IUPAC name is (R)-N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID140879191
Molecular FormulaC18H32F2N2O2SSi
Molecular Weight406.62 g/mol
Exact Mass406.19
IUPAC Name(R)-N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](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/t15-,25+/m0/s1
InChIKeyYDVWEAXYDRAFOW-ODCWNRFASA-N
XLogP4.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
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 ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide (CID 140879191) is (R)-N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(F)(F)c1ccccn1.
What is the InChIKey of (R)-N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is YDVWEAXYDRAFOW-ODCWNRFASA-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/t15-,25+/m0/s1.
What are the key properties of (R)-N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 406.62 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 140879191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).