1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-1-one;(R)-N-[1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide

C38H68Br2N4O5S2Si2 — CID 160795756

IUPAC1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-1-one;(R)-N-[1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=C(CCCO[Si](C)(C)C(C)(C)C)c1cccc(Br)n1.CC(C)(C)[S@](N)=O.CC(C)(C)[Si](C)(C)OCCCC(=O)c1cccc(Br)n1
InChIInChI=1S/C19H33BrN2O2SSi.C15H24BrNO2Si.C4H11NOS/c1-18(2,3)25(23)22-16(15-11-9-13-17(20)21-15)12-10-14-24-26(7,8)19(4,5)6;1-15(2,3)20(4,5)19-11-7-9-13(18)12-8-6-10-14(16)17-12;1-4(2,3)7(5)6/h9,11,13H,10,12,14H2,1-8H3;6,8,10H,7,9,11H2,1-5H3;5H2,1-3H3/t25-;;7-/m1.1/s1
InChIKeySCKOTOSQVBCRDT-XIKYEWPRSA-N
MW941.10 g/mol
LogP11.13
Rot. Bonds13

About 1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-1-one;(R)-N-[1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide

1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-1-one;(R)-N-[1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide (PubChem CID 160795756) has the molecular formula C38H68Br2N4O5S2Si2 and a molecular weight of 941.10 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-1-one;(R)-N-[1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-1-one;(R)-N-[1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide
PubChem CID160795756
Molecular FormulaC38H68Br2N4O5S2Si2
Molecular Weight941.10 g/mol
Exact Mass938.25
IUPAC Name1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-1-one;(R)-N-[1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=C(CCCO[Si](C)(C)C(C)(C)C)c1cccc(Br)n1.CC(C)(C)[S@](N)=O.CC(C)(C)[Si](C)(C)OCCCC(=O)c1cccc(Br)n1
InChIInChI=1S/C19H33BrN2O2SSi.C15H24BrNO2Si.C4H11NOS/c1-18(2,3)25(23)22-16(15-11-9-13-17(20)21-15)12-10-14-24-26(7,8)19(4,5)6;1-15(2,3)20(4,5)19-11-7-9-13(18)12-8-6-10-14(16)17-12;1-4(2,3)7(5)6/h9,11,13H,10,12,14H2,1-8H3;6,8,10H,7,9,11H2,1-5H3;5H2,1-3H3/t25-;;7-/m1.1/s1
InChIKeySCKOTOSQVBCRDT-XIKYEWPRSA-N
XLogP11.13
TPSA133.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.10
LogP ≤ 511.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-1-one;(R)-N-[1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

(NE,R)-N-[1-(6-bromo-2-pyridinyl)-4,4,4-trifluorobutylidene]-2-methylpropane-2-sulfinamide
CID 118664091
(S)-N-[1-(6-bromo-2-pyridinyl)-3,3-difluorobutylidene]-2-methylpropane-2-sulfinamide
CID 163735803
(NE,R)-N-[1-(6-bromo-2-pyridinyl)-2-fluoropropylidene]-2-methylpropane-2-sulfinamide
CID 118670701
1-(6-bromo-2-pyridinyl)-3,3-difluorobutan-1-one
CID 118670699
tert-butyl 3-(6-bromo-2-pyridinyl)-3-oxopropanoate
CID 162531785
3-[tert-butyl(dimethyl)silyl]oxypropyl N-phenylcarbamate
CID 177244740
7-[tert-butyl(dimethyl)silyl]oxy-1-phenylhept-1-yn-3-one
CID 46848785
4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate
CID 11688619
N-[1-(6-cyano-2-pyridinyl)-3-cyclopropylpropylidene]-2-methylpropane-2-sulfinamide
CID 141464942
(NE,S)-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]-2-methylpropane-2-sulfinamide
CID 90089971
ethyl 6-bromopyridine-2-carboxylate
CID 2758810
N-[1-(5-bromo-2-fluorophenyl)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropropylidene]-2-methylpropane-2-sulfinamide
CID 86650272

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-1-one;(R)-N-[1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide?
The IUPAC name of 1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-1-one;(R)-N-[1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide (CID 160795756) is 1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-1-one;(R)-N-[1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-1-one;(R)-N-[1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-1-one;(R)-N-[1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N=C(CCCO[Si](C)(C)C(C)(C)C)c1cccc(Br)n1.CC(C)(C)[S@](N)=O.CC(C)(C)[Si](C)(C)OCCCC(=O)c1cccc(Br)n1.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-1-one;(R)-N-[1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide?
The InChIKey is SCKOTOSQVBCRDT-XIKYEWPRSA-N. The full InChI is InChI=1S/C19H33BrN2O2SSi.C15H24BrNO2Si.C4H11NOS/c1-18(2,3)25(23)22-16(15-11-9-13-17(20)21-15)12-10-14-24-26(7,8)19(4,5)6;1-15(2,3)20(4,5)19-11-7-9-13(18)12-8-6-10-14(16)17-12;1-4(2,3)7(5)6/h9,11,13H,10,12,14H2,1-8H3;6,8,10H,7,9,11H2,1-5H3;5H2,1-3H3/t25-;;7-/m1.1/s1.
What are the key properties of 1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-1-one;(R)-N-[1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide?
1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-1-one;(R)-N-[1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide has a molecular weight of 941.10 g/mol, XLogP of 11.13, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutan-1-one;(R)-N-[1-(6-bromo-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 160795756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).