dimethyl-[3-[3-(3-triethoxysilylpropylsulfanyl)propanoylamino]propyl]azanium

C17H39N2O4SSi+ — CID 143434250

IUPACdimethyl-[3-[3-(3-triethoxysilylpropylsulfanyl)propanoylamino]propyl]azanium
SMILESCCO[Si](CCCSCCC(=O)NCCC[NH+](C)C)(OCC)OCC
InChIInChI=1S/C17H38N2O4SSi/c1-6-21-25(22-7-2,23-8-3)16-10-14-24-15-11-17(20)18-12-9-13-19(4)5/h6-16H2,1-5H3,(H,18,20)/p+1
InChIKeyFJIMVGBLLCOKJS-UHFFFAOYSA-O
MW395.66 g/mol
LogP1.20
Rot. Bonds17

About dimethyl-[3-[3-(3-triethoxysilylpropylsulfanyl)propanoylamino]propyl]azanium

dimethyl-[3-[3-(3-triethoxysilylpropylsulfanyl)propanoylamino]propyl]azanium (PubChem CID 143434250) has the molecular formula C17H39N2O4SSi+ and a molecular weight of 395.66 g/mol. Its IUPAC name is dimethyl-[3-[3-(3-triethoxysilylpropylsulfanyl)propanoylamino]propyl]azanium.

Molecular Properties

Compound Namedimethyl-[3-[3-(3-triethoxysilylpropylsulfanyl)propanoylamino]propyl]azanium
PubChem CID143434250
Molecular FormulaC17H39N2O4SSi+
Molecular Weight395.66 g/mol
Exact Mass395.24
IUPAC Namedimethyl-[3-[3-(3-triethoxysilylpropylsulfanyl)propanoylamino]propyl]azanium
SMILESCCO[Si](CCCSCCC(=O)NCCC[NH+](C)C)(OCC)OCC
InChIInChI=1S/C17H38N2O4SSi/c1-6-21-25(22-7-2,23-8-3)16-10-14-24-15-11-17(20)18-12-9-13-19(4)5/h6-16H2,1-5H3,(H,18,20)/p+1
InChIKeyFJIMVGBLLCOKJS-UHFFFAOYSA-O
XLogP1.20
TPSA61.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.66
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-[3-(3-triethoxysilylpropylsulfanyl)propanoylamino]propyl]azanium?
The IUPAC name of dimethyl-[3-[3-(3-triethoxysilylpropylsulfanyl)propanoylamino]propyl]azanium (CID 143434250) is dimethyl-[3-[3-(3-triethoxysilylpropylsulfanyl)propanoylamino]propyl]azanium.
What is the SMILES notation for dimethyl-[3-[3-(3-triethoxysilylpropylsulfanyl)propanoylamino]propyl]azanium?
The canonical SMILES for dimethyl-[3-[3-(3-triethoxysilylpropylsulfanyl)propanoylamino]propyl]azanium is CCO[Si](CCCSCCC(=O)NCCC[NH+](C)C)(OCC)OCC.
What is the InChIKey of dimethyl-[3-[3-(3-triethoxysilylpropylsulfanyl)propanoylamino]propyl]azanium?
The InChIKey is FJIMVGBLLCOKJS-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H38N2O4SSi/c1-6-21-25(22-7-2,23-8-3)16-10-14-24-15-11-17(20)18-12-9-13-19(4)5/h6-16H2,1-5H3,(H,18,20)/p+1.
What are the key properties of dimethyl-[3-[3-(3-triethoxysilylpropylsulfanyl)propanoylamino]propyl]azanium?
dimethyl-[3-[3-(3-triethoxysilylpropylsulfanyl)propanoylamino]propyl]azanium has a molecular weight of 395.66 g/mol, XLogP of 1.20, 17 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-[3-(3-triethoxysilylpropylsulfanyl)propanoylamino]propyl]azanium is sourced from PubChem (CID 143434250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).