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

Name: Dimethyl-[3-[3-(3-triethoxysilylpropylsulfanyl)propanoylamino]propyl]azanium — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₃₉N₂O₄SSi+ — CID 143434250

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Dimethyl-[3-[3-(3-triethoxysilylpropylsulfanyl)propanoylamino]propyl]azanium
PubChem CID	143434250
Molecular Formula	C₁₇H₃₉N₂O₄SSi+
Molecular Weight	395.66 g/mol
Exact Mass	395.24
IUPAC Name	dimethyl-[3-[3-(3-triethoxysilylpropylsulfanyl)propanoylamino]propyl]azanium
SMILES	CCO[Si](CCCSCCC(=O)NCCC[NH+](C)C)(OCC)OCC
InChI	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
InChIKey	FJIMVGBLLCOKJS-UHFFFAOYSA-O
XLogP	1.20
TPSA	61.23 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	17
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.66
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

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).

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Sources

PubChem CID 143434250 — identifiers, structure, computed properties (public domain)

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