tributyl-(6-methylsulfonyl-2-pyridinyl)stannane

C18H33NO2SSn — CID 59693803

IUPACtributyl-(6-methylsulfonyl-2-pyridinyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(S(C)(=O)=O)n1
InChIInChI=1S/C6H6NO2S.3C4H9.Sn/c1-10(8,9)6-4-2-3-5-7-6;3*1-3-4-2;/h2-4H,1H3;3*1,3-4H2,2H3;
InChIKeyZFLYNFGXELFQSY-UHFFFAOYSA-N
MW446.25 g/mol
LogP4.54
Rot. Bonds11

About tributyl-(6-methylsulfonyl-2-pyridinyl)stannane

tributyl-(6-methylsulfonyl-2-pyridinyl)stannane (PubChem CID 59693803) has the molecular formula C18H33NO2SSn and a molecular weight of 446.25 g/mol. Its IUPAC name is tributyl-(6-methylsulfonyl-2-pyridinyl)stannane.

Molecular Properties

Compound Nametributyl-(6-methylsulfonyl-2-pyridinyl)stannane
PubChem CID59693803
Molecular FormulaC18H33NO2SSn
Molecular Weight446.25 g/mol
Exact Mass447.13
IUPAC Nametributyl-(6-methylsulfonyl-2-pyridinyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(S(C)(=O)=O)n1
InChIInChI=1S/C6H6NO2S.3C4H9.Sn/c1-10(8,9)6-4-2-3-5-7-6;3*1-3-4-2;/h2-4H,1H3;3*1,3-4H2,2H3;
InChIKeyZFLYNFGXELFQSY-UHFFFAOYSA-N
XLogP4.54
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.25
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 160765795
CID 160765795
6-tributylstannylpyridine-2-carboxylic acid
CID 174892380
tributyl-[6-(methoxymethoxymethyl)-2-pyridinyl]stannane
CID 67054806
tributyl-(2-methylsulfonyl-1,3-thiazol-4-yl)stannane
CID 46840022
dibutyl-pentyl-(6-pyridin-2-yl-2-pyridinyl)stannane
CID 144702950
tributyl-[6-(1-methylindazol-5-yl)-2-pyridinyl]stannane
CID 86700373
tributyl-(5-methyl-6-phenyl-2-pyridinyl)stannane
CID 67397521
tributyl-(1-methylpyrazol-3-yl)stannane
CID 19028447
tributylstannyl pyridine-2-sulfonate
CID 163304135
tributyl-(6-phenylmethoxypyrazin-2-yl)stannane
CID 135028210
sulfane;bis(tributyl(phenyl)stannane)
CID 67835272
tributyl-(6-tributylstannylpyrimidin-4-yl)stannane
CID 86280249

Frequently Asked Questions

What is the IUPAC name of tributyl-(6-methylsulfonyl-2-pyridinyl)stannane?
The IUPAC name of tributyl-(6-methylsulfonyl-2-pyridinyl)stannane (CID 59693803) is tributyl-(6-methylsulfonyl-2-pyridinyl)stannane.
What is the SMILES notation for tributyl-(6-methylsulfonyl-2-pyridinyl)stannane?
The canonical SMILES for tributyl-(6-methylsulfonyl-2-pyridinyl)stannane is CCCC[Sn](CCCC)(CCCC)c1cccc(S(C)(=O)=O)n1.
What is the InChIKey of tributyl-(6-methylsulfonyl-2-pyridinyl)stannane?
The InChIKey is ZFLYNFGXELFQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6NO2S.3C4H9.Sn/c1-10(8,9)6-4-2-3-5-7-6;3*1-3-4-2;/h2-4H,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(6-methylsulfonyl-2-pyridinyl)stannane?
tributyl-(6-methylsulfonyl-2-pyridinyl)stannane has a molecular weight of 446.25 g/mol, XLogP of 4.54, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(6-methylsulfonyl-2-pyridinyl)stannane is sourced from PubChem (CID 59693803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).