tributyl-[3-(4-methylphenyl)sulfonylcyclobutyl]stannane

C23H40O2SSn — CID 134881012

IUPACtributyl-[3-(4-methylphenyl)sulfonylcyclobutyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1CC(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C11H13O2S.3C4H9.Sn/c1-9-5-7-11(8-6-9)14(12,13)10-3-2-4-10;3*1-3-4-2;/h2,5-8,10H,3-4H2,1H3;3*1,3-4H2,2H3;
InChIKeyPJOUEODBJKGVSW-UHFFFAOYSA-N
MW499.35 g/mol
LogP7.15
Rot. Bonds12

About tributyl-[3-(4-methylphenyl)sulfonylcyclobutyl]stannane

tributyl-[3-(4-methylphenyl)sulfonylcyclobutyl]stannane (PubChem CID 134881012) has the molecular formula C23H40O2SSn and a molecular weight of 499.35 g/mol. Its IUPAC name is tributyl-[3-(4-methylphenyl)sulfonylcyclobutyl]stannane.

Molecular Properties

Compound Nametributyl-[3-(4-methylphenyl)sulfonylcyclobutyl]stannane
PubChem CID134881012
Molecular FormulaC23H40O2SSn
Molecular Weight499.35 g/mol
Exact Mass500.18
IUPAC Nametributyl-[3-(4-methylphenyl)sulfonylcyclobutyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1CC(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C11H13O2S.3C4H9.Sn/c1-9-5-7-11(8-6-9)14(12,13)10-3-2-4-10;3*1-3-4-2;/h2,5-8,10H,3-4H2,1H3;3*1,3-4H2,2H3;
InChIKeyPJOUEODBJKGVSW-UHFFFAOYSA-N
XLogP7.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.35
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
methyl 3-(4-methylphenyl)sulfonylcyclobutane-1-carboxylate
CID 66868655
tributyl-[(2S,4R)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]stannane
CID 11467439
(2S,3R)-2-(4-methylphenyl)sulfonyl-3-pentyloxirane
CID 15316045
1-butoxy-4-cyclopropylsulfonylbenzene
CID 170120338
1-cyclopentylsulfonyl-4-pentylbenzene
CID 173140440
1-methyl-4-(4-methylphenyl)sulfonylpiperidine
CID 71189168
N-methyl-3-(4-methylphenyl)sulfonylcyclohexan-1-amine
CID 64716296
4-methylbenzenesulfonate;tetrahexylazanium
CID 14367752
[(1R,2S)-2-(4-methylphenyl)sulfonylcyclopropyl]methanamine
CID 99999683
(3R)-3-(4-methylphenyl)sulfonylpyrrolidine
CID 7016814

Frequently Asked Questions

What is the IUPAC name of tributyl-[3-(4-methylphenyl)sulfonylcyclobutyl]stannane?
The IUPAC name of tributyl-[3-(4-methylphenyl)sulfonylcyclobutyl]stannane (CID 134881012) is tributyl-[3-(4-methylphenyl)sulfonylcyclobutyl]stannane.
What is the SMILES notation for tributyl-[3-(4-methylphenyl)sulfonylcyclobutyl]stannane?
The canonical SMILES for tributyl-[3-(4-methylphenyl)sulfonylcyclobutyl]stannane is CCCC[Sn](CCCC)(CCCC)C1CC(S(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of tributyl-[3-(4-methylphenyl)sulfonylcyclobutyl]stannane?
The InChIKey is PJOUEODBJKGVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O2S.3C4H9.Sn/c1-9-5-7-11(8-6-9)14(12,13)10-3-2-4-10;3*1-3-4-2;/h2,5-8,10H,3-4H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[3-(4-methylphenyl)sulfonylcyclobutyl]stannane?
tributyl-[3-(4-methylphenyl)sulfonylcyclobutyl]stannane has a molecular weight of 499.35 g/mol, XLogP of 7.15, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[3-(4-methylphenyl)sulfonylcyclobutyl]stannane is sourced from PubChem (CID 134881012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).