methyl-[methylamino(3-triethoxysilylpropylsulfanyl)methylidene]azanium

C12H29N2O3SSi+ — CID 101159909

IUPACmethyl-[methylamino(3-triethoxysilylpropylsulfanyl)methylidene]azanium
SMILESCCO[Si](CCCS/C(NC)=[NH+]/C)(OCC)OCC
InChIInChI=1S/C12H28N2O3SSi/c1-6-15-19(16-7-2,17-8-3)11-9-10-18-12(13-4)14-5/h6-11H2,1-5H3,(H,13,14)/p+1
InChIKeyFGWADMNSIGLTLJ-UHFFFAOYSA-O
MW309.53 g/mol
LogP0.44
Rot. Bonds10

About methyl-[methylamino(3-triethoxysilylpropylsulfanyl)methylidene]azanium

methyl-[methylamino(3-triethoxysilylpropylsulfanyl)methylidene]azanium (PubChem CID 101159909) has the molecular formula C12H29N2O3SSi+ and a molecular weight of 309.53 g/mol. Its IUPAC name is methyl-[methylamino(3-triethoxysilylpropylsulfanyl)methylidene]azanium.

Molecular Properties

Compound Namemethyl-[methylamino(3-triethoxysilylpropylsulfanyl)methylidene]azanium
PubChem CID101159909
Molecular FormulaC12H29N2O3SSi+
Molecular Weight309.53 g/mol
Exact Mass309.17
IUPAC Namemethyl-[methylamino(3-triethoxysilylpropylsulfanyl)methylidene]azanium
SMILESCCO[Si](CCCS/C(NC)=[NH+]/C)(OCC)OCC
InChIInChI=1S/C12H28N2O3SSi/c1-6-15-19(16-7-2,17-8-3)11-9-10-18-12(13-4)14-5/h6-11H2,1-5H3,(H,13,14)/p+1
InChIKeyFGWADMNSIGLTLJ-UHFFFAOYSA-O
XLogP0.44
TPSA53.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.53
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

S-(3-triethoxysilylpropyl) pentanethioate
CID 86045286
S-(3-trimethoxysilylpropyl) N-(3-triethoxysilylpropyl)carbamothioate
CID 58004922
S-(3-triethoxysilylpropyl) tetradecanethioate
CID 22026178
S-(3-triethoxysilylpropyl) 2-bromo-2-methylpropanethioate
CID 59620759
3-[dimethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane
CID 175914772
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
octyl N-(3-triethoxysilylpropyl)carbamodithioate
CID 20568269
3-[diethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane
CID 175914793
triethoxy(3-undecylsulfanylpropyl)silane
CID 173288680
S-[3-(3-triethoxysilylpropylsulfanyl)propyl] hexadecanethioate
CID 175710005
S-[3-(3-triethoxysilylpropylsulfanyl)propyl] octanethioate
CID 175709992
S-[6-(3-triethoxysilylpropylsulfanyl)hexyl] hexadecanethioate
CID 175709984

Frequently Asked Questions

What is the IUPAC name of methyl-[methylamino(3-triethoxysilylpropylsulfanyl)methylidene]azanium?
The IUPAC name of methyl-[methylamino(3-triethoxysilylpropylsulfanyl)methylidene]azanium (CID 101159909) is methyl-[methylamino(3-triethoxysilylpropylsulfanyl)methylidene]azanium.
What is the SMILES notation for methyl-[methylamino(3-triethoxysilylpropylsulfanyl)methylidene]azanium?
The canonical SMILES for methyl-[methylamino(3-triethoxysilylpropylsulfanyl)methylidene]azanium is CCO[Si](CCCS/C(NC)=[NH+]/C)(OCC)OCC.
What is the InChIKey of methyl-[methylamino(3-triethoxysilylpropylsulfanyl)methylidene]azanium?
The InChIKey is FGWADMNSIGLTLJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H28N2O3SSi/c1-6-15-19(16-7-2,17-8-3)11-9-10-18-12(13-4)14-5/h6-11H2,1-5H3,(H,13,14)/p+1.
What are the key properties of methyl-[methylamino(3-triethoxysilylpropylsulfanyl)methylidene]azanium?
methyl-[methylamino(3-triethoxysilylpropylsulfanyl)methylidene]azanium has a molecular weight of 309.53 g/mol, XLogP of 0.44, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[methylamino(3-triethoxysilylpropylsulfanyl)methylidene]azanium is sourced from PubChem (CID 101159909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).