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

C22H39NO3SSn — CID 11237647

IUPACtributyl-[(2R,4R)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)[C@H]1OC[C@@H](c2ccccc2)N1S(C)(=O)=O
InChIInChI=1S/C10H12NO3S.3C4H9.Sn/c1-15(12,13)11-8-14-7-10(11)9-5-3-2-4-6-9;3*1-3-4-2;/h2-6,8,10H,7H2,1H3;3*1,3-4H2,2H3;/t10-;;;;/m0..../s1
InChIKeyWVBUUJBKZSMHNZ-CZEDPBFNSA-N
MW516.34 g/mol
LogP5.73
Rot. Bonds12

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

tributyl-[(2R,4R)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane (PubChem CID 11237647) has the molecular formula C22H39NO3SSn and a molecular weight of 516.34 g/mol. Its IUPAC name is tributyl-[(2R,4R)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[(2R,4R)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane
PubChem CID11237647
Molecular FormulaC22H39NO3SSn
Molecular Weight516.34 g/mol
Exact Mass517.17
IUPAC Nametributyl-[(2R,4R)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)[C@H]1OC[C@@H](c2ccccc2)N1S(C)(=O)=O
InChIInChI=1S/C10H12NO3S.3C4H9.Sn/c1-15(12,13)11-8-14-7-10(11)9-5-3-2-4-6-9;3*1-3-4-2;/h2-6,8,10H,7H2,1H3;3*1,3-4H2,2H3;/t10-;;;;/m0..../s1
InChIKeyWVBUUJBKZSMHNZ-CZEDPBFNSA-N
XLogP5.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.34
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tributyl-[(2S,4R)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane
CID 11467439
benzyl (2R,4R)-4-phenyl-2-tributylstannyl-1,3-oxazolidine-3-carboxylate
CID 11330588
(2S,4S)-3-(benzenesulfonyl)-4-butyl-2-phenyl-1,3-oxazolidine
CID 102045763
(2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine
CID 102473250
(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one
CID 134941159
(3R,5S,8aR)-5-pentyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 10636009
(4S)-3-(3-methylsulfanyl-1-tributylstannylpropyl)-4-phenyl-1,3-oxazolidin-2-one
CID 10984384
(4-butyl-2-phenyl-1,3-dioxan-5-yl) methanesulfonate
CID 134389517
(2-oxo-4-phenylazetidin-1-yl) sulfate;tetrabutylazanium
CID 10505041
1-methyl-2-phenyl-4-propylsulfonylpiperazine
CID 110418547
(E)-N-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]hexan-1-imine
CID 135077796
1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperidine
CID 169211755

Frequently Asked Questions

What is the IUPAC name of tributyl-[(2R,4R)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane?
The IUPAC name of tributyl-[(2R,4R)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane (CID 11237647) is tributyl-[(2R,4R)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane.
What is the SMILES notation for tributyl-[(2R,4R)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane?
The canonical SMILES for tributyl-[(2R,4R)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane is CCCC[Sn](CCCC)(CCCC)[C@H]1OC[C@@H](c2ccccc2)N1S(C)(=O)=O.
What is the InChIKey of tributyl-[(2R,4R)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane?
The InChIKey is WVBUUJBKZSMHNZ-CZEDPBFNSA-N. The full InChI is InChI=1S/C10H12NO3S.3C4H9.Sn/c1-15(12,13)11-8-14-7-10(11)9-5-3-2-4-6-9;3*1-3-4-2;/h2-6,8,10H,7H2,1H3;3*1,3-4H2,2H3;/t10-;;;;/m0..../s1.
What are the key properties of tributyl-[(2R,4R)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane?
tributyl-[(2R,4R)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane has a molecular weight of 516.34 g/mol, XLogP of 5.73, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(2R,4R)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane is sourced from PubChem (CID 11237647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).