triethylazanium;2-trimethylsilylethanesulfonate

C11H29NO3SSi — CID 134896062

IUPACtriethylazanium;2-trimethylsilylethanesulfonate
SMILESCC[NH+](CC)CC.C[Si](C)(C)CCS(=O)(=O)[O-]
InChIInChI=1S/C6H15N.C5H14O3SSi/c1-4-7(5-2)6-3;1-10(2,3)5-4-9(6,7)8/h4-6H2,1-3H3;4-5H2,1-3H3,(H,6,7,8)
InChIKeyZPOZKMCVXXBPTC-UHFFFAOYSA-N
MW283.51 g/mol
LogP0.80
Rot. Bonds6

About triethylazanium;2-trimethylsilylethanesulfonate

triethylazanium;2-trimethylsilylethanesulfonate (PubChem CID 134896062) has the molecular formula C11H29NO3SSi and a molecular weight of 283.51 g/mol. Its IUPAC name is triethylazanium;2-trimethylsilylethanesulfonate.

Molecular Properties

Compound Nametriethylazanium;2-trimethylsilylethanesulfonate
PubChem CID134896062
Molecular FormulaC11H29NO3SSi
Molecular Weight283.51 g/mol
Exact Mass283.16
IUPAC Nametriethylazanium;2-trimethylsilylethanesulfonate
SMILESCC[NH+](CC)CC.C[Si](C)(C)CCS(=O)(=O)[O-]
InChIInChI=1S/C6H15N.C5H14O3SSi/c1-4-7(5-2)6-3;1-10(2,3)5-4-9(6,7)8/h4-6H2,1-3H3;4-5H2,1-3H3,(H,6,7,8)
InChIKeyZPOZKMCVXXBPTC-UHFFFAOYSA-N
XLogP0.80
TPSA61.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.51
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethylazanium;2-trimethylsilylethanesulfonate?
The IUPAC name of triethylazanium;2-trimethylsilylethanesulfonate (CID 134896062) is triethylazanium;2-trimethylsilylethanesulfonate.
What is the SMILES notation for triethylazanium;2-trimethylsilylethanesulfonate?
The canonical SMILES for triethylazanium;2-trimethylsilylethanesulfonate is CC[NH+](CC)CC.C[Si](C)(C)CCS(=O)(=O)[O-].
What is the InChIKey of triethylazanium;2-trimethylsilylethanesulfonate?
The InChIKey is ZPOZKMCVXXBPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C5H14O3SSi/c1-4-7(5-2)6-3;1-10(2,3)5-4-9(6,7)8/h4-6H2,1-3H3;4-5H2,1-3H3,(H,6,7,8).
What are the key properties of triethylazanium;2-trimethylsilylethanesulfonate?
triethylazanium;2-trimethylsilylethanesulfonate has a molecular weight of 283.51 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethylazanium;2-trimethylsilylethanesulfonate is sourced from PubChem (CID 134896062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).