2,2-dibutyl-5-pyridin-2-yl-1,3,4,2-dioxathiastannolane 4,4-dioxide

C14H23NO4SSn — CID 16683167

IUPAC2,2-dibutyl-5-pyridin-2-yl-1,3,4,2-dioxathiastannolane 4,4-dioxide
SMILESCCCC[Sn]1(CCCC)OC(c2ccccn2)S(=O)(=O)O1
InChIInChI=1S/C6H6NO4S.2C4H9.Sn/c8-6(12(9,10)11)5-3-1-2-4-7-5;2*1-3-4-2;/h1-4,6H,(H,9,10,11);2*1,3-4H2,2H3;/q-1;;;+2/p-1
InChIKeyIQIDREHHBOIYBU-UHFFFAOYSA-M
MW420.12 g/mol
LogP3.50
Rot. Bonds7

About 2,2-dibutyl-5-pyridin-2-yl-1,3,4,2-dioxathiastannolane 4,4-dioxide

2,2-dibutyl-5-pyridin-2-yl-1,3,4,2-dioxathiastannolane 4,4-dioxide (PubChem CID 16683167) has the molecular formula C14H23NO4SSn and a molecular weight of 420.12 g/mol. Its IUPAC name is 2,2-dibutyl-5-pyridin-2-yl-1,3,4,2-dioxathiastannolane 4,4-dioxide.

Molecular Properties

Compound Name2,2-dibutyl-5-pyridin-2-yl-1,3,4,2-dioxathiastannolane 4,4-dioxide
PubChem CID16683167
Molecular FormulaC14H23NO4SSn
Molecular Weight420.12 g/mol
Exact Mass421.04
IUPAC Name2,2-dibutyl-5-pyridin-2-yl-1,3,4,2-dioxathiastannolane 4,4-dioxide
SMILESCCCC[Sn]1(CCCC)OC(c2ccccn2)S(=O)(=O)O1
InChIInChI=1S/C6H6NO4S.2C4H9.Sn/c8-6(12(9,10)11)5-3-1-2-4-7-5;2*1-3-4-2;/h1-4,6H,(H,9,10,11);2*1,3-4H2,2H3;/q-1;;;+2/p-1
InChIKeyIQIDREHHBOIYBU-UHFFFAOYSA-M
XLogP3.50
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.12
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,2-dibutyl-5-pyridin-2-yl-1,3,4,2-dioxathiastannolane 4,4-dioxide with MolForge

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Launch Full Analysis

Related Compounds

2-Pyridylhydroxymethanesulfonic acid
CID 95465
US10221162, Example 345.0
CID 122701920
Ethanimidothioic acid, N-(((methyl((2-pyridinylmethoxy)sulfinyl)amino)carbonyl)oxy)-, methyl ester
CID 9588605
1-Pyridin-2-ylethenyl trifluoromethanesulfonate
CID 124139208
Triethyl(2-pyridylmethoxy)silane
CID 13696201
5-Methyl-2-pyridin-2-yl-3-(trifluoromethylsulfonyl)-4,5-dihydro-1,3-oxazol-3-ium
CID 134860472
2-[(4S)-4,5-Dihydro-4-[2-(methylthio)ethyl]-2-oxazolyl]pyridine
CID 10609072
2-{[(Trimethylsilyl)oxy]methyl}pyridine
CID 71444503
[(1S)-1-pyridin-2-ylethyl] methanesulfonate
CID 11790238
Methanesulfonic acid pyridin-2-ylmethyl ester
CID 22417657
2-(Pyridin-2-yl)ethyl methanesulfonate
CID 22637034
1-(Pyridin-2-yl)ethyl methanesulfonate
CID 57655977

Frequently Asked Questions

What is the IUPAC name of 2,2-dibutyl-5-pyridin-2-yl-1,3,4,2-dioxathiastannolane 4,4-dioxide?
The IUPAC name of 2,2-dibutyl-5-pyridin-2-yl-1,3,4,2-dioxathiastannolane 4,4-dioxide (CID 16683167) is 2,2-dibutyl-5-pyridin-2-yl-1,3,4,2-dioxathiastannolane 4,4-dioxide.
What is the SMILES notation for 2,2-dibutyl-5-pyridin-2-yl-1,3,4,2-dioxathiastannolane 4,4-dioxide?
The canonical SMILES for 2,2-dibutyl-5-pyridin-2-yl-1,3,4,2-dioxathiastannolane 4,4-dioxide is CCCC[Sn]1(CCCC)OC(c2ccccn2)S(=O)(=O)O1.
What is the InChIKey of 2,2-dibutyl-5-pyridin-2-yl-1,3,4,2-dioxathiastannolane 4,4-dioxide?
The InChIKey is IQIDREHHBOIYBU-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6NO4S.2C4H9.Sn/c8-6(12(9,10)11)5-3-1-2-4-7-5;2*1-3-4-2;/h1-4,6H,(H,9,10,11);2*1,3-4H2,2H3;/q-1;;;+2/p-1.
What are the key properties of 2,2-dibutyl-5-pyridin-2-yl-1,3,4,2-dioxathiastannolane 4,4-dioxide?
2,2-dibutyl-5-pyridin-2-yl-1,3,4,2-dioxathiastannolane 4,4-dioxide has a molecular weight of 420.12 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibutyl-5-pyridin-2-yl-1,3,4,2-dioxathiastannolane 4,4-dioxide is sourced from PubChem (CID 16683167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).