tributyl-(2-methylsulfonylpyrimidin-5-yl)stannane

C17H32N2O2SSn — CID 2763272

IUPACtributyl-(2-methylsulfonylpyrimidin-5-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(S(C)(=O)=O)nc1
InChIInChI=1S/C5H5N2O2S.3C4H9.Sn/c1-10(8,9)5-6-3-2-4-7-5;3*1-3-4-2;/h3-4H,1H3;3*1,3-4H2,2H3;
InChIKeyRRHTVQOGUAOHDR-UHFFFAOYSA-N
MW447.23 g/mol
LogP3.94
Rot. Bonds11

About tributyl-(2-methylsulfonylpyrimidin-5-yl)stannane

tributyl-(2-methylsulfonylpyrimidin-5-yl)stannane (PubChem CID 2763272) has the molecular formula C17H32N2O2SSn and a molecular weight of 447.23 g/mol. Its IUPAC name is tributyl-(2-methylsulfonylpyrimidin-5-yl)stannane.

Molecular Properties

Compound Nametributyl-(2-methylsulfonylpyrimidin-5-yl)stannane
PubChem CID2763272
Molecular FormulaC17H32N2O2SSn
Molecular Weight447.23 g/mol
Exact Mass448.12
IUPAC Nametributyl-(2-methylsulfonylpyrimidin-5-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(S(C)(=O)=O)nc1
InChIInChI=1S/C5H5N2O2S.3C4H9.Sn/c1-10(8,9)5-6-3-2-4-7-5;3*1-3-4-2;/h3-4H,1H3;3*1,3-4H2,2H3;
InChIKeyRRHTVQOGUAOHDR-UHFFFAOYSA-N
XLogP3.94
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.23
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tributyl-(2-methylsulfonylpyrimidin-5-yl)stannane?
The IUPAC name of tributyl-(2-methylsulfonylpyrimidin-5-yl)stannane (CID 2763272) is tributyl-(2-methylsulfonylpyrimidin-5-yl)stannane.
What is the SMILES notation for tributyl-(2-methylsulfonylpyrimidin-5-yl)stannane?
The canonical SMILES for tributyl-(2-methylsulfonylpyrimidin-5-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1cnc(S(C)(=O)=O)nc1.
What is the InChIKey of tributyl-(2-methylsulfonylpyrimidin-5-yl)stannane?
The InChIKey is RRHTVQOGUAOHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N2O2S.3C4H9.Sn/c1-10(8,9)5-6-3-2-4-7-5;3*1-3-4-2;/h3-4H,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(2-methylsulfonylpyrimidin-5-yl)stannane?
tributyl-(2-methylsulfonylpyrimidin-5-yl)stannane has a molecular weight of 447.23 g/mol, XLogP of 3.94, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(2-methylsulfonylpyrimidin-5-yl)stannane is sourced from PubChem (CID 2763272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).