(NZ,R)-N-[1-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide

C17H28BrFN2OSSi — CID 140802799

IUPAC(NZ,R)-N-[1-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC[Si](CC)(CC)c1cc(Br)nc(/C(C)=N\[S@](=O)C(C)(C)C)c1F
InChIInChI=1S/C17H28BrFN2OSSi/c1-8-24(9-2,10-3)13-11-14(18)20-16(15(13)19)12(4)21-23(22)17(5,6)7/h11H,8-10H2,1-7H3/b21-12-/t23-/m1/s1
InChIKeyJHOAOIMCFCLDTO-VVOOWDFBSA-N
MW435.48 g/mol
LogP4.97
Rot. Bonds6

About (NZ,R)-N-[1-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide

(NZ,R)-N-[1-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 140802799) has the molecular formula C17H28BrFN2OSSi and a molecular weight of 435.48 g/mol. Its IUPAC name is (NZ,R)-N-[1-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NZ,R)-N-[1-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID140802799
Molecular FormulaC17H28BrFN2OSSi
Molecular Weight435.48 g/mol
Exact Mass434.09
IUPAC Name(NZ,R)-N-[1-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC[Si](CC)(CC)c1cc(Br)nc(/C(C)=N\[S@](=O)C(C)(C)C)c1F
InChIInChI=1S/C17H28BrFN2OSSi/c1-8-24(9-2,10-3)13-11-14(18)20-16(15(13)19)12(4)21-23(22)17(5,6)7/h11H,8-10H2,1-7H3/b21-12-/t23-/m1/s1
InChIKeyJHOAOIMCFCLDTO-VVOOWDFBSA-N
XLogP4.97
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(NE,R)-N-[1-(6-bromo-3-fluoro-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 89095383
(S)-N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-methylpropane-2-sulfinamide
CID 141461732
(R)-N-[(2R)-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)-3,3,5,5,5-pentafluoro-4,4-dihydroxypentan-2-yl]-2-methylpropane-2-sulfinamide
CID 140966007
1-amino-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)propan-2-ol;hydrochloride
CID 88593161
1-(6-bromo-3-chloro-4-triethylsilyl-2-pyridinyl)ethanone
CID 140703572
(NE,R)-N-[1-(4-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 153436878
N-[1-(3-bromo-2,6-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 86715733
N-[1-(5-bromo-3-fluorothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
CID 123908069
(NE,S)-2-methyl-N-[1-(2,4,6-trifluorophenyl)ethylidene]propane-2-sulfinamide
CID 51063977
(NZ,R)-N-[1-(2,3-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 90373303
N-[1-(5-fluoropyrimidin-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
CID 139462983
(NZ,R)-N-[1-(4-bromothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
CID 59764141

Frequently Asked Questions

What is the IUPAC name of (NZ,R)-N-[1-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NZ,R)-N-[1-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide (CID 140802799) is (NZ,R)-N-[1-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NZ,R)-N-[1-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NZ,R)-N-[1-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide is CC[Si](CC)(CC)c1cc(Br)nc(/C(C)=N\[S@](=O)C(C)(C)C)c1F.
What is the InChIKey of (NZ,R)-N-[1-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is JHOAOIMCFCLDTO-VVOOWDFBSA-N. The full InChI is InChI=1S/C17H28BrFN2OSSi/c1-8-24(9-2,10-3)13-11-14(18)20-16(15(13)19)12(4)21-23(22)17(5,6)7/h11H,8-10H2,1-7H3/b21-12-/t23-/m1/s1.
What are the key properties of (NZ,R)-N-[1-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide?
(NZ,R)-N-[1-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 435.48 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ,R)-N-[1-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 140802799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).