tributyl(3-pyridin-2-ylsulfonylprop-1-en-2-yl)stannane

C20H35NO2SSn — CID 11598029

IUPACtributyl(3-pyridin-2-ylsulfonylprop-1-en-2-yl)stannane
SMILESC=C(CS(=O)(=O)c1ccccn1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C8H8NO2S.3C4H9.Sn/c1-2-7-12(10,11)8-5-3-4-6-9-8;3*1-3-4-2;/h3-6H,1,7H2;3*1,3-4H2,2H3;
InChIKeyQSFKXOLXTVINSQ-UHFFFAOYSA-N
MW472.28 g/mol
LogP5.80
Rot. Bonds13

About tributyl(3-pyridin-2-ylsulfonylprop-1-en-2-yl)stannane

tributyl(3-pyridin-2-ylsulfonylprop-1-en-2-yl)stannane (PubChem CID 11598029) has the molecular formula C20H35NO2SSn and a molecular weight of 472.28 g/mol. Its IUPAC name is tributyl(3-pyridin-2-ylsulfonylprop-1-en-2-yl)stannane.

Molecular Properties

Compound Nametributyl(3-pyridin-2-ylsulfonylprop-1-en-2-yl)stannane
PubChem CID11598029
Molecular FormulaC20H35NO2SSn
Molecular Weight472.28 g/mol
Exact Mass473.14
IUPAC Nametributyl(3-pyridin-2-ylsulfonylprop-1-en-2-yl)stannane
SMILESC=C(CS(=O)(=O)c1ccccn1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C8H8NO2S.3C4H9.Sn/c1-2-7-12(10,11)8-5-3-4-6-9-8;3*1-3-4-2;/h3-6H,1,7H2;3*1,3-4H2,2H3;
InChIKeyQSFKXOLXTVINSQ-UHFFFAOYSA-N
XLogP5.80
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.28
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tributyl(3-pyridin-2-ylsulfonylprop-1-en-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

tributylstannyl pyridine-2-sulfonate
CID 163304135
2-[(2R)-2-methylheptyl]sulfonylpyridine
CID 102521509
2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine
CID 139827432
2-propylsulfonylpyridine tetrafluoroborate
CID 175603723
3-pyridin-2-ylsulfonylpropan-1-ol
CID 54271342
2-(chloromethylsulfonyl)pyridine
CID 54090294
octyl pyridine-2-sulfonate
CID 14266027
2-(diethoxyphosphorylmethylsulfonyl)pyridine
CID 23421466
N-methyl-2-pyridin-2-ylsulfonylethanamine
CID 71130386
N-propylpyridine-2-sulfonamide
CID 91182516
2,2-dimethyl-3-pyridin-2-ylsulfonylpropanoic acid
CID 116853081
butyl-methylimino-oxo-pyridin-2-yl-λ6-sulfane;molybdenum;oxygen(2-);diperoxide
CID 139140431

Frequently Asked Questions

What is the IUPAC name of tributyl(3-pyridin-2-ylsulfonylprop-1-en-2-yl)stannane?
The IUPAC name of tributyl(3-pyridin-2-ylsulfonylprop-1-en-2-yl)stannane (CID 11598029) is tributyl(3-pyridin-2-ylsulfonylprop-1-en-2-yl)stannane.
What is the SMILES notation for tributyl(3-pyridin-2-ylsulfonylprop-1-en-2-yl)stannane?
The canonical SMILES for tributyl(3-pyridin-2-ylsulfonylprop-1-en-2-yl)stannane is C=C(CS(=O)(=O)c1ccccn1)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(3-pyridin-2-ylsulfonylprop-1-en-2-yl)stannane?
The InChIKey is QSFKXOLXTVINSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8NO2S.3C4H9.Sn/c1-2-7-12(10,11)8-5-3-4-6-9-8;3*1-3-4-2;/h3-6H,1,7H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl(3-pyridin-2-ylsulfonylprop-1-en-2-yl)stannane?
tributyl(3-pyridin-2-ylsulfonylprop-1-en-2-yl)stannane has a molecular weight of 472.28 g/mol, XLogP of 5.80, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(3-pyridin-2-ylsulfonylprop-1-en-2-yl)stannane is sourced from PubChem (CID 11598029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).