tributyl-[(2S,4R)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane

C28H43NO3SSn — CID 11467439

IUPACtributyl-[(2S,4R)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)[C@@H]1OC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H16NO3S.3C4H9.Sn/c1-13-7-9-15(10-8-13)21(18,19)17-12-20-11-16(17)14-5-3-2-4-6-14;3*1-3-4-2;/h2-10,12,16H,11H2,1H3;3*1,3-4H2,2H3;/t16-;;;;/m0..../s1
InChIKeyXOOVFRXPAMJPAA-FXAGWRDUSA-N
MW592.43 g/mol
LogP7.47
Rot. Bonds13

About tributyl-[(2S,4R)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane

tributyl-[(2S,4R)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane (PubChem CID 11467439) has the molecular formula C28H43NO3SSn and a molecular weight of 592.43 g/mol. Its IUPAC name is tributyl-[(2S,4R)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[(2S,4R)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane
PubChem CID11467439
Molecular FormulaC28H43NO3SSn
Molecular Weight592.43 g/mol
Exact Mass593.20
IUPAC Nametributyl-[(2S,4R)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)[C@@H]1OC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H16NO3S.3C4H9.Sn/c1-13-7-9-15(10-8-13)21(18,19)17-12-20-11-16(17)14-5-3-2-4-6-14;3*1-3-4-2;/h2-10,12,16H,11H2,1H3;3*1,3-4H2,2H3;/t16-;;;;/m0..../s1
InChIKeyXOOVFRXPAMJPAA-FXAGWRDUSA-N
XLogP7.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.43
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tributyl-[(2S,4R)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane with MolForge

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Related Compounds

tributyl-[(2R,4R)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane
CID 11237647
(2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine
CID 102473250
tributyl-[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]stannane
CID 11156581
tributyl-[(2S,5R)-5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]stannane
CID 11752899
benzyl (2R,4R)-4-phenyl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate
CID 11330588
(3S,5R)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-propan-2-ylmorpholine
CID 134953438
(5S)-5-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]cyclopent-2-en-1-one
CID 11825141
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
[(2S,5R)-1-(4-methylphenyl)sulfonyl-5-phenylpyrrolidin-2-yl]methanol
CID 11336503
(3R)-4-(4-methylphenyl)sulfonyl-3-phenylmorpholine
CID 102484859
(2R,3S,5R)-5-butyl-3-iodo-1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidine
CID 101112181
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480

Frequently Asked Questions

What is the IUPAC name of tributyl-[(2S,4R)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane?
The IUPAC name of tributyl-[(2S,4R)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane (CID 11467439) is tributyl-[(2S,4R)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane.
What is the SMILES notation for tributyl-[(2S,4R)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane?
The canonical SMILES for tributyl-[(2S,4R)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane is CCCC[Sn](CCCC)(CCCC)[C@@H]1OC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of tributyl-[(2S,4R)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane?
The InChIKey is XOOVFRXPAMJPAA-FXAGWRDUSA-N. The full InChI is InChI=1S/C16H16NO3S.3C4H9.Sn/c1-13-7-9-15(10-8-13)21(18,19)17-12-20-11-16(17)14-5-3-2-4-6-14;3*1-3-4-2;/h2-10,12,16H,11H2,1H3;3*1,3-4H2,2H3;/t16-;;;;/m0..../s1.
What are the key properties of tributyl-[(2S,4R)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane?
tributyl-[(2S,4R)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane has a molecular weight of 592.43 g/mol, XLogP of 7.47, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(2S,4R)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane is sourced from PubChem (CID 11467439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).