1-(3-trimethoxysilylpropylsulfanyl)propan-2-ylazanium

C9H24NO3SSi+ — CID 20730060

IUPAC1-(3-trimethoxysilylpropylsulfanyl)propan-2-ylazanium
SMILESCO[Si](CCCSCC(C)[NH3+])(OC)OC
InChIInChI=1S/C9H23NO3SSi/c1-9(10)8-14-6-5-7-15(11-2,12-3)13-4/h9H,5-8,10H2,1-4H3/p+1
InChIKeyVFCWIPCZBRFBSX-UHFFFAOYSA-O
MW254.45 g/mol
LogP0.62
Rot. Bonds9

About 1-(3-trimethoxysilylpropylsulfanyl)propan-2-ylazanium

1-(3-trimethoxysilylpropylsulfanyl)propan-2-ylazanium (PubChem CID 20730060) has the molecular formula C9H24NO3SSi+ and a molecular weight of 254.45 g/mol. Its IUPAC name is 1-(3-trimethoxysilylpropylsulfanyl)propan-2-ylazanium.

Molecular Properties

Compound Name1-(3-trimethoxysilylpropylsulfanyl)propan-2-ylazanium
PubChem CID20730060
Molecular FormulaC9H24NO3SSi+
Molecular Weight254.45 g/mol
Exact Mass254.12
IUPAC Name1-(3-trimethoxysilylpropylsulfanyl)propan-2-ylazanium
SMILESCO[Si](CCCSCC(C)[NH3+])(OC)OC
InChIInChI=1S/C9H23NO3SSi/c1-9(10)8-14-6-5-7-15(11-2,12-3)13-4/h9H,5-8,10H2,1-4H3/p+1
InChIKeyVFCWIPCZBRFBSX-UHFFFAOYSA-O
XLogP0.62
TPSA55.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-(3-trimethoxysilylpropylsulfanyl)propan-2-ylazanium?
The IUPAC name of 1-(3-trimethoxysilylpropylsulfanyl)propan-2-ylazanium (CID 20730060) is 1-(3-trimethoxysilylpropylsulfanyl)propan-2-ylazanium.
What is the SMILES notation for 1-(3-trimethoxysilylpropylsulfanyl)propan-2-ylazanium?
The canonical SMILES for 1-(3-trimethoxysilylpropylsulfanyl)propan-2-ylazanium is CO[Si](CCCSCC(C)[NH3+])(OC)OC.
What is the InChIKey of 1-(3-trimethoxysilylpropylsulfanyl)propan-2-ylazanium?
The InChIKey is VFCWIPCZBRFBSX-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H23NO3SSi/c1-9(10)8-14-6-5-7-15(11-2,12-3)13-4/h9H,5-8,10H2,1-4H3/p+1.
What are the key properties of 1-(3-trimethoxysilylpropylsulfanyl)propan-2-ylazanium?
1-(3-trimethoxysilylpropylsulfanyl)propan-2-ylazanium has a molecular weight of 254.45 g/mol, XLogP of 0.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-trimethoxysilylpropylsulfanyl)propan-2-ylazanium is sourced from PubChem (CID 20730060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).