[2-ethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]-trimethylstannane

C17H27NO3SSn — CID 10551253

IUPAC[2-ethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]-trimethylstannane
SMILESCCOC1CCC=C([Sn](C)(C)C)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H18NO3S.3CH3.Sn/c1-3-18-14-6-4-5-11-15(14)19(16,17)13-9-7-12(2)8-10-13;;;;/h5,7-10,14H,3-4,6H2,1-2H3;3*1H3;
InChIKeyOGLFCWBUDVWXAR-UHFFFAOYSA-N
MW444.19 g/mol
LogP3.90
Rot. Bonds5

About [2-ethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]-trimethylstannane

[2-ethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]-trimethylstannane (PubChem CID 10551253) has the molecular formula C17H27NO3SSn and a molecular weight of 444.19 g/mol. Its IUPAC name is [2-ethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]-trimethylstannane.

Molecular Properties

Compound Name[2-ethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]-trimethylstannane
PubChem CID10551253
Molecular FormulaC17H27NO3SSn
Molecular Weight444.19 g/mol
Exact Mass445.07
IUPAC Name[2-ethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]-trimethylstannane
SMILESCCOC1CCC=C([Sn](C)(C)C)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H18NO3S.3CH3.Sn/c1-3-18-14-6-4-5-11-15(14)19(16,17)13-9-7-12(2)8-10-13;;;;/h5,7-10,14H,3-4,6H2,1-2H3;3*1H3;
InChIKeyOGLFCWBUDVWXAR-UHFFFAOYSA-N
XLogP3.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.19
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-ethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridine-6-carboxylate
CID 10860730
1-[2-ethoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-5-yl]ethanone
CID 15329485
2,3-diethoxy-1,4-bis-(4-methylphenyl)sulfonylpiperazine
CID 2844836
1-(3,4-dichlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one
CID 3086688
5-ethoxy-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 135054158
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
ethyl 4-(4-methylphenyl)sulfonyl-3-trimethylsilyl-1,5-dihydro-1,2,4-triazole-5-carboxylate
CID 10904713
(2R,3S)-3-bromo-5-chloro-2-ethoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 177386607
(4R,5R)-1,3-bis-(4-methylphenyl)sulfonyl-4,5-dipropylimidazolidin-2-one
CID 162400217
5-methoxy-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 135051669
3-ethyl-4-(hydroxymethyl)-1-(4-methylphenyl)sulfonylazetidin-2-one
CID 19893286
2-(butoxymethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 71037189

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]-trimethylstannane?
The IUPAC name of [2-ethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]-trimethylstannane (CID 10551253) is [2-ethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]-trimethylstannane.
What is the SMILES notation for [2-ethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]-trimethylstannane?
The canonical SMILES for [2-ethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]-trimethylstannane is CCOC1CCC=C([Sn](C)(C)C)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of [2-ethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]-trimethylstannane?
The InChIKey is OGLFCWBUDVWXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18NO3S.3CH3.Sn/c1-3-18-14-6-4-5-11-15(14)19(16,17)13-9-7-12(2)8-10-13;;;;/h5,7-10,14H,3-4,6H2,1-2H3;3*1H3;.
What are the key properties of [2-ethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]-trimethylstannane?
[2-ethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]-trimethylstannane has a molecular weight of 444.19 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyridin-6-yl]-trimethylstannane is sourced from PubChem (CID 10551253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).