ethyl 2-phenyl-1-(2-trimethylsilylethylsulfonyl)-3,6-dihydro-2H-pyridine-5-carboxylate

C19H29NO4SSi — CID 6610189

IUPACethyl 2-phenyl-1-(2-trimethylsilylethylsulfonyl)-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=CCC(c2ccccc2)N(S(=O)(=O)CC[Si](C)(C)C)C1
InChIInChI=1S/C19H29NO4SSi/c1-5-24-19(21)17-11-12-18(16-9-7-6-8-10-16)20(15-17)25(22,23)13-14-26(2,3)4/h6-11,18H,5,12-15H2,1-4H3
InChIKeyQUTFMMPOZFBIMW-UHFFFAOYSA-N
MW395.60 g/mol
LogP3.59
Rot. Bonds7

About ethyl 2-phenyl-1-(2-trimethylsilylethylsulfonyl)-3,6-dihydro-2H-pyridine-5-carboxylate

ethyl 2-phenyl-1-(2-trimethylsilylethylsulfonyl)-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 6610189) has the molecular formula C19H29NO4SSi and a molecular weight of 395.60 g/mol. Its IUPAC name is ethyl 2-phenyl-1-(2-trimethylsilylethylsulfonyl)-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenyl-1-(2-trimethylsilylethylsulfonyl)-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID6610189
Molecular FormulaC19H29NO4SSi
Molecular Weight395.60 g/mol
Exact Mass395.16
IUPAC Nameethyl 2-phenyl-1-(2-trimethylsilylethylsulfonyl)-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=CCC(c2ccccc2)N(S(=O)(=O)CC[Si](C)(C)C)C1
InChIInChI=1S/C19H29NO4SSi/c1-5-24-19(21)17-11-12-18(16-9-7-6-8-10-16)20(15-17)25(22,23)13-14-26(2,3)4/h6-11,18H,5,12-15H2,1-4H3
InChIKeyQUTFMMPOZFBIMW-UHFFFAOYSA-N
XLogP3.59
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.60
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-1-(4-methylphenyl)sulfonyl-2-pyridin-4-yl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 51359084
ethyl (2R)-2-(4-isocyanophenyl)-1-(4-nitrophenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 162693822
1-[1-(benzenesulfonyl)-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
CID 51358989
ethyl (2R,5R)-2-naphthalen-1-yl-5-phenyl-1-(2-trimethylsilylethylsulfonyl)-2,5-dihydropyrrole-3-carboxylate
CID 134978017
(2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 146469231
(2R)-1-(benzenesulfonyl)-2-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 146469236
ethyl 1-(4-methylphenyl)sulfonyl-2-(1H-pyrrol-2-yl)-3,6-dihydro-2H-pyridine-5-carboxylate
CID 101242783
ethyl 2-phenyl-1,2,3,6-tetrahydropyridine-5-carboxylate
CID 73015655
(2S)-5-ethoxycarbonyl-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 90885660
ethyl 1-(4-methylphenyl)sulfonyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 101242785
ethyl 1,2-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate;oxalic acid
CID 67909631
ethyl 3-phenyl-3,4-dihydropyrazole-2-carboxylate
CID 3079077

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-1-(2-trimethylsilylethylsulfonyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of ethyl 2-phenyl-1-(2-trimethylsilylethylsulfonyl)-3,6-dihydro-2H-pyridine-5-carboxylate (CID 6610189) is ethyl 2-phenyl-1-(2-trimethylsilylethylsulfonyl)-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 2-phenyl-1-(2-trimethylsilylethylsulfonyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 2-phenyl-1-(2-trimethylsilylethylsulfonyl)-3,6-dihydro-2H-pyridine-5-carboxylate is CCOC(=O)C1=CCC(c2ccccc2)N(S(=O)(=O)CC[Si](C)(C)C)C1.
What is the InChIKey of ethyl 2-phenyl-1-(2-trimethylsilylethylsulfonyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is QUTFMMPOZFBIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4SSi/c1-5-24-19(21)17-11-12-18(16-9-7-6-8-10-16)20(15-17)25(22,23)13-14-26(2,3)4/h6-11,18H,5,12-15H2,1-4H3.
What are the key properties of ethyl 2-phenyl-1-(2-trimethylsilylethylsulfonyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
ethyl 2-phenyl-1-(2-trimethylsilylethylsulfonyl)-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 395.60 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-1-(2-trimethylsilylethylsulfonyl)-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 6610189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).