2-(3-trimethoxysilylpropylsulfanyl)ethanamine

C8H21NO3SSi — CID 23269126

IUPAC2-(3-trimethoxysilylpropylsulfanyl)ethanamine
SMILESCO[Si](CCCSCCN)(OC)OC
InChIInChI=1S/C8H21NO3SSi/c1-10-14(11-2,12-3)8-4-6-13-7-5-9/h4-9H2,1-3H3
InChIKeyUCRBWRQWIDKJKP-UHFFFAOYSA-N
MW239.41 g/mol
LogP0.95
Rot. Bonds9

About 2-(3-trimethoxysilylpropylsulfanyl)ethanamine

2-(3-trimethoxysilylpropylsulfanyl)ethanamine (PubChem CID 23269126) has the molecular formula C8H21NO3SSi and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-(3-trimethoxysilylpropylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(3-trimethoxysilylpropylsulfanyl)ethanamine
PubChem CID23269126
Molecular FormulaC8H21NO3SSi
Molecular Weight239.41 g/mol
Exact Mass239.10
IUPAC Name2-(3-trimethoxysilylpropylsulfanyl)ethanamine
SMILESCO[Si](CCCSCCN)(OC)OC
InChIInChI=1S/C8H21NO3SSi/c1-10-14(11-2,12-3)8-4-6-13-7-5-9/h4-9H2,1-3H3
InChIKeyUCRBWRQWIDKJKP-UHFFFAOYSA-N
XLogP0.95
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 50.95
H-Bond Donors ≤ 51
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 2-(3-trimethoxysilylpropylsulfanyl)ethanamine?
The IUPAC name of 2-(3-trimethoxysilylpropylsulfanyl)ethanamine (CID 23269126) is 2-(3-trimethoxysilylpropylsulfanyl)ethanamine.
What is the SMILES notation for 2-(3-trimethoxysilylpropylsulfanyl)ethanamine?
The canonical SMILES for 2-(3-trimethoxysilylpropylsulfanyl)ethanamine is CO[Si](CCCSCCN)(OC)OC.
What is the InChIKey of 2-(3-trimethoxysilylpropylsulfanyl)ethanamine?
The InChIKey is UCRBWRQWIDKJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21NO3SSi/c1-10-14(11-2,12-3)8-4-6-13-7-5-9/h4-9H2,1-3H3.
What are the key properties of 2-(3-trimethoxysilylpropylsulfanyl)ethanamine?
2-(3-trimethoxysilylpropylsulfanyl)ethanamine has a molecular weight of 239.41 g/mol, XLogP of 0.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-trimethoxysilylpropylsulfanyl)ethanamine is sourced from PubChem (CID 23269126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).