methanesulfonate;trimethoxy-[2-(1-methylpyridin-1-ium-2-yl)ethyl]silane

C12H23NO6SSi — CID 86654377

IUPACmethanesulfonate;trimethoxy-[2-(1-methylpyridin-1-ium-2-yl)ethyl]silane
SMILESCO[Si](CCc1cccc[n+]1C)(OC)OC.CS(=O)(=O)[O-]
InChIInChI=1S/C11H20NO3Si.CH4O3S/c1-12-9-6-5-7-11(12)8-10-16(13-2,14-3)15-4;1-5(2,3)4/h5-7,9H,8,10H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKeyIZYMGZSYDVIPOW-UHFFFAOYSA-M
MW337.47 g/mol
LogP0.09
Rot. Bonds6

About methanesulfonate;trimethoxy-[2-(1-methylpyridin-1-ium-2-yl)ethyl]silane

methanesulfonate;trimethoxy-[2-(1-methylpyridin-1-ium-2-yl)ethyl]silane (PubChem CID 86654377) has the molecular formula C12H23NO6SSi and a molecular weight of 337.47 g/mol. Its IUPAC name is methanesulfonate;trimethoxy-[2-(1-methylpyridin-1-ium-2-yl)ethyl]silane.

Molecular Properties

Compound Namemethanesulfonate;trimethoxy-[2-(1-methylpyridin-1-ium-2-yl)ethyl]silane
PubChem CID86654377
Molecular FormulaC12H23NO6SSi
Molecular Weight337.47 g/mol
Exact Mass337.10
IUPAC Namemethanesulfonate;trimethoxy-[2-(1-methylpyridin-1-ium-2-yl)ethyl]silane
SMILESCO[Si](CCc1cccc[n+]1C)(OC)OC.CS(=O)(=O)[O-]
InChIInChI=1S/C11H20NO3Si.CH4O3S/c1-12-9-6-5-7-11(12)8-10-16(13-2,14-3)15-4;1-5(2,3)4/h5-7,9H,8,10H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKeyIZYMGZSYDVIPOW-UHFFFAOYSA-M
XLogP0.09
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze methanesulfonate;trimethoxy-[2-(1-methylpyridin-1-ium-2-yl)ethyl]silane 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

Pyridinium, 2-((hydroxyimino)methyl)-1-methyl-, methyl sulfate (1:1)
CID 135539491
Betahistine Mesilate
CID 198334
Betahistine monomesilate
CID 6420033
Pralidoxime Mesylate
CID 135476791
2-Pyridineethanesulfonic acid
CID 96724
1-Hexylpyridinium trifluoromethanesulfonate
CID 2734249
2-Hydroxyiminomethyl-N-methylpyridinium methanesulphonate
CID 65349
2-Methyl-1-(3-sulphonatopropyl)pyridinium
CID 91841
Pyridinium, 1-dodecyl-, sulfate (1:1)
CID 22237174
1,2-Dimethyl-5-vinylpyridinium methyl sulfate
CID 81330
2-Cyano-1-methylpyridin-1-ium methanesulfonate
CID 112866
Pyridine-2-aldoxime ethanesulfonate
CID 114022

Frequently Asked Questions

What is the IUPAC name of methanesulfonate;trimethoxy-[2-(1-methylpyridin-1-ium-2-yl)ethyl]silane?
The IUPAC name of methanesulfonate;trimethoxy-[2-(1-methylpyridin-1-ium-2-yl)ethyl]silane (CID 86654377) is methanesulfonate;trimethoxy-[2-(1-methylpyridin-1-ium-2-yl)ethyl]silane.
What is the SMILES notation for methanesulfonate;trimethoxy-[2-(1-methylpyridin-1-ium-2-yl)ethyl]silane?
The canonical SMILES for methanesulfonate;trimethoxy-[2-(1-methylpyridin-1-ium-2-yl)ethyl]silane is CO[Si](CCc1cccc[n+]1C)(OC)OC.CS(=O)(=O)[O-].
What is the InChIKey of methanesulfonate;trimethoxy-[2-(1-methylpyridin-1-ium-2-yl)ethyl]silane?
The InChIKey is IZYMGZSYDVIPOW-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H20NO3Si.CH4O3S/c1-12-9-6-5-7-11(12)8-10-16(13-2,14-3)15-4;1-5(2,3)4/h5-7,9H,8,10H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1.
What are the key properties of methanesulfonate;trimethoxy-[2-(1-methylpyridin-1-ium-2-yl)ethyl]silane?
methanesulfonate;trimethoxy-[2-(1-methylpyridin-1-ium-2-yl)ethyl]silane has a molecular weight of 337.47 g/mol, XLogP of 0.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonate;trimethoxy-[2-(1-methylpyridin-1-ium-2-yl)ethyl]silane is sourced from PubChem (CID 86654377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).