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

C22H39NO3SSn — CID 11156581

IUPACtributyl-[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1OCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H12NO3S.3C4H9.Sn/c1-9-2-4-10(5-3-9)15(12,13)11-6-7-14-8-11;3*1-3-4-2;/h2-5,8H,6-7H2,1H3;3*1,3-4H2,2H3;
InChIKeyNZPLYTYTYALRLU-UHFFFAOYSA-N
MW516.34 g/mol
LogP5.73
Rot. Bonds12

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

tributyl-[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]stannane (PubChem CID 11156581) has the molecular formula C22H39NO3SSn and a molecular weight of 516.34 g/mol. Its IUPAC name is tributyl-[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]stannane
PubChem CID11156581
Molecular FormulaC22H39NO3SSn
Molecular Weight516.34 g/mol
Exact Mass517.17
IUPAC Nametributyl-[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1OCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H12NO3S.3C4H9.Sn/c1-9-2-4-10(5-3-9)15(12,13)11-6-7-14-8-11;3*1-3-4-2;/h2-5,8H,6-7H2,1H3;3*1,3-4H2,2H3;
InChIKeyNZPLYTYTYALRLU-UHFFFAOYSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tributyl-[(2S,5R)-5-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]stannane
CID 11752899
tributyl-[(2S,4R)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane
CID 11467439
(4aS,8aS)-5,8-bis-(4-methylphenyl)sulfonyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b]pyrazine
CID 6979389
2-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine
CID 134965346
(2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 101030218
(2R)-2-hexyl-4-(4-methylphenyl)sulfonylmorpholine
CID 101366739
(2R)-1-(4-methylphenyl)sulfonyl-2-octylaziridine
CID 95240344
(2S)-2-hexyl-1-(4-methylphenyl)sulfonylaziridine
CID 102355352
2-butyl-1-(4-methylphenyl)sulfonylpiperidine
CID 177451088
2-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazinane
CID 110739862
tributyl-[3-(4-methylphenyl)sulfonylcyclobutyl]stannane
CID 134881012
(7aR,11aR)-1,7-bis-(4-methylphenyl)sulfonyl-2,3,5,6,7a,8,9,10,11,11a-decahydrobenzo[e][1,4,7]oxadiazonine
CID 101249935

Frequently Asked Questions

What is the IUPAC name of tributyl-[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]stannane?
The IUPAC name of tributyl-[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]stannane (CID 11156581) is tributyl-[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]stannane.
What is the SMILES notation for tributyl-[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]stannane?
The canonical SMILES for tributyl-[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]stannane is CCCC[Sn](CCCC)(CCCC)C1OCCN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of tributyl-[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]stannane?
The InChIKey is NZPLYTYTYALRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NO3S.3C4H9.Sn/c1-9-2-4-10(5-3-9)15(12,13)11-6-7-14-8-11;3*1-3-4-2;/h2-5,8H,6-7H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]stannane?
tributyl-[3-(4-methylphenyl)sulfonyl-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-[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]stannane is sourced from PubChem (CID 11156581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).