N-[(2R)-5-[dimethyl(phenyl)silyl]-1-phenylmethoxypenta-3,4-dien-2-yl]-2-methylpropane-2-sulfinamide

C24H33NO2SSi — CID 122209826

IUPACN-[(2R)-5-[dimethyl(phenyl)silyl]-1-phenylmethoxypenta-3,4-dien-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@H](C=C=C[Si](C)(C)c1ccccc1)COCc1ccccc1
InChIInChI=1S/C24H33NO2SSi/c1-24(2,3)28(26)25-22(20-27-19-21-13-8-6-9-14-21)15-12-18-29(4,5)23-16-10-7-11-17-23/h6-11,13-18,22,25H,19-20H2,1-5H3/t12?,22-,28?/m1/s1
InChIKeyJKDKEOYYDOCNBK-KNTWSMHISA-N
MW427.69 g/mol
LogP4.49
Rot. Bonds9

About N-[(2R)-5-[dimethyl(phenyl)silyl]-1-phenylmethoxypenta-3,4-dien-2-yl]-2-methylpropane-2-sulfinamide

N-[(2R)-5-[dimethyl(phenyl)silyl]-1-phenylmethoxypenta-3,4-dien-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 122209826) has the molecular formula C24H33NO2SSi and a molecular weight of 427.69 g/mol. Its IUPAC name is N-[(2R)-5-[dimethyl(phenyl)silyl]-1-phenylmethoxypenta-3,4-dien-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(2R)-5-[dimethyl(phenyl)silyl]-1-phenylmethoxypenta-3,4-dien-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID122209826
Molecular FormulaC24H33NO2SSi
Molecular Weight427.69 g/mol
Exact Mass427.20
IUPAC NameN-[(2R)-5-[dimethyl(phenyl)silyl]-1-phenylmethoxypenta-3,4-dien-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@H](C=C=C[Si](C)(C)c1ccccc1)COCc1ccccc1
InChIInChI=1S/C24H33NO2SSi/c1-24(2,3)28(26)25-22(20-27-19-21-13-8-6-9-14-21)15-12-18-29(4,5)23-16-10-7-11-17-23/h6-11,13-18,22,25H,19-20H2,1-5H3/t12?,22-,28?/m1/s1
InChIKeyJKDKEOYYDOCNBK-KNTWSMHISA-N
XLogP4.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.69
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(R)-N-[(2R,3R)-3-methoxy-4-phenylmethoxy-1-pyridin-2-ylbutan-2-yl]-2-methylpropane-2-sulfinamide
CID 140879439
(R)-2-methyl-N-[(1R)-3-methyl-1-[methyl(diphenyl)silyl]butyl]propane-2-sulfinamide
CID 24750122
(R)-2-methyl-N-[(2S,3S)-2-phenylmethoxypentan-3-yl]propane-2-sulfinamide
CID 11231808
2-amino-2-methyl-N-(1-oxo-3-phenylmethoxypropan-2-yl)propanamide
CID 56998841
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal
CID 11201317
(R)-N-[(1R)-3-hydroxy-1-[methyl(diphenyl)silyl]propyl]-2-methylpropane-2-sulfinamide
CID 46220978
(R)-2-methyl-N-[(1S,2S)-1-phenyl-2-phenylmethoxypropyl]propane-2-sulfinamide
CID 11348533
N-methyl-1,3-bis(phenylmethoxy)propan-2-amine
CID 20583824
(S)-2-methyl-N-[(1S,2S)-1-phenyl-2-phenylmethoxypropyl]propane-2-sulfinamide
CID 11348534
(S)-2-methyl-N-[(1S)-1-(3-phenylmethoxy-1,2-oxazol-5-yl)prop-2-enyl]propane-2-sulfinamide
CID 121287997
2-[(2-methylpropan-2-yl)oxy]propoxymethylbenzene
CID 122595271
(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-phenylmethoxypentanal
CID 15000627

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-[dimethyl(phenyl)silyl]-1-phenylmethoxypenta-3,4-dien-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(2R)-5-[dimethyl(phenyl)silyl]-1-phenylmethoxypenta-3,4-dien-2-yl]-2-methylpropane-2-sulfinamide (CID 122209826) is N-[(2R)-5-[dimethyl(phenyl)silyl]-1-phenylmethoxypenta-3,4-dien-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(2R)-5-[dimethyl(phenyl)silyl]-1-phenylmethoxypenta-3,4-dien-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(2R)-5-[dimethyl(phenyl)silyl]-1-phenylmethoxypenta-3,4-dien-2-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N[C@H](C=C=C[Si](C)(C)c1ccccc1)COCc1ccccc1.
What is the InChIKey of N-[(2R)-5-[dimethyl(phenyl)silyl]-1-phenylmethoxypenta-3,4-dien-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is JKDKEOYYDOCNBK-KNTWSMHISA-N. The full InChI is InChI=1S/C24H33NO2SSi/c1-24(2,3)28(26)25-22(20-27-19-21-13-8-6-9-14-21)15-12-18-29(4,5)23-16-10-7-11-17-23/h6-11,13-18,22,25H,19-20H2,1-5H3/t12?,22-,28?/m1/s1.
What are the key properties of N-[(2R)-5-[dimethyl(phenyl)silyl]-1-phenylmethoxypenta-3,4-dien-2-yl]-2-methylpropane-2-sulfinamide?
N-[(2R)-5-[dimethyl(phenyl)silyl]-1-phenylmethoxypenta-3,4-dien-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 427.69 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5-[dimethyl(phenyl)silyl]-1-phenylmethoxypenta-3,4-dien-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 122209826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).