tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]prop-2-enoxy]silane

C21H33NO3SSi — CID 11112312

IUPACtert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]prop-2-enoxy]silane
SMILESC=C(CO[Si](C)(C)C(C)(C)C)C1=CCCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C21H33NO3SSi/c1-17-10-12-20(13-11-17)26(23,24)22-14-8-9-19(15-22)18(2)16-25-27(6,7)21(3,4)5/h9-13H,2,8,14-16H2,1,3-7H3
InChIKeyGVZQJBZKMQYIPC-UHFFFAOYSA-N
MW407.65 g/mol
LogP4.89
Rot. Bonds6

About tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]prop-2-enoxy]silane

tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]prop-2-enoxy]silane (PubChem CID 11112312) has the molecular formula C21H33NO3SSi and a molecular weight of 407.65 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]prop-2-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]prop-2-enoxy]silane
PubChem CID11112312
Molecular FormulaC21H33NO3SSi
Molecular Weight407.65 g/mol
Exact Mass407.20
IUPAC Nametert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]prop-2-enoxy]silane
SMILESC=C(CO[Si](C)(C)C(C)(C)C)C1=CCCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C21H33NO3SSi/c1-17-10-12-20(13-11-17)26(23,24)22-14-8-9-19(15-22)18(2)16-25-27(6,7)21(3,4)5/h9-13H,2,8,14-16H2,1,3-7H3
InChIKeyGVZQJBZKMQYIPC-UHFFFAOYSA-N
XLogP4.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.65
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 10927663
tert-butyl-dimethyl-[(1R)-1-[(2S)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-2-yl]but-3-enoxy]silane
CID 11004083
N-but-3-enyl-4-methyl-N-(2-trimethylsilylethynyl)benzenesulfonamide
CID 15849912
N-[5-[tert-butyl(dimethyl)silyl]oxy-5-methylhexa-2,3-dienyl]-4-methyl-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 134946885
4-methyl-N-(2-methylprop-2-enyl)-N-(3-trimethylsilylprop-2-ynyl)benzenesulfonamide
CID 10497049
4-methyl-N-prop-2-enyl-N-(3-trimethylsilylprop-2-ynyl)benzenesulfonamide
CID 11099293
N-but-3-enyl-N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynyl]-4-methylbenzenesulfonamide
CID 11101599
4-methyl-N-prop-2-ynyl-N-[2-(trimethylsilylmethyl)prop-2-enyl]benzenesulfonamide
CID 11151826
tert-butyl-dimethyl-[(2S)-2-[(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]propoxy]silane
CID 11187822
4-methyl-N-[(E)-4-[[(1E)-3-methylbuta-1,3-dienyl]-di(propan-2-yl)silyl]oxybut-2-enyl]-N-prop-2-ynylbenzenesulfonamide
CID 11282585
N-[(3E)-hexa-3,5-dienyl]-4-methyl-N-(2-trimethylsilylethynyl)benzenesulfonamide
CID 11325479
(1S,2R,6R,7Z,10E)-8-methyl-13-(4-methylphenyl)sulfonyl-5,5-di(propan-2-yl)-4-oxa-13-aza-5-silatricyclo[9.3.0.02,6]tetradeca-7,10-diene
CID 11340132

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]prop-2-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]prop-2-enoxy]silane (CID 11112312) is tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]prop-2-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]prop-2-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]prop-2-enoxy]silane is C=C(CO[Si](C)(C)C(C)(C)C)C1=CCCN(S(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]prop-2-enoxy]silane?
The InChIKey is GVZQJBZKMQYIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO3SSi/c1-17-10-12-20(13-11-17)26(23,24)22-14-8-9-19(15-22)18(2)16-25-27(6,7)21(3,4)5/h9-13H,2,8,14-16H2,1,3-7H3.
What are the key properties of tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]prop-2-enoxy]silane?
tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]prop-2-enoxy]silane has a molecular weight of 407.65 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]prop-2-enoxy]silane is sourced from PubChem (CID 11112312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).