[4-amino-1-(3-trimethoxysilylpropylsulfanyl)pentan-2-yl]azanium

C11H29N2O3SSi+ — CID 20730093

IUPAC[4-amino-1-(3-trimethoxysilylpropylsulfanyl)pentan-2-yl]azanium
SMILESCO[Si](CCCSCC([NH3+])CC(C)N)(OC)OC
InChIInChI=1S/C11H28N2O3SSi/c1-10(12)8-11(13)9-17-6-5-7-18(14-2,15-3)16-4/h10-11H,5-9,12-13H2,1-4H3/p+1
InChIKeyGYKABUGIJGLSLR-UHFFFAOYSA-O
MW297.52 g/mol
LogP0.34
Rot. Bonds11

About [4-amino-1-(3-trimethoxysilylpropylsulfanyl)pentan-2-yl]azanium

[4-amino-1-(3-trimethoxysilylpropylsulfanyl)pentan-2-yl]azanium (PubChem CID 20730093) has the molecular formula C11H29N2O3SSi+ and a molecular weight of 297.52 g/mol. Its IUPAC name is [4-amino-1-(3-trimethoxysilylpropylsulfanyl)pentan-2-yl]azanium.

Molecular Properties

Compound Name[4-amino-1-(3-trimethoxysilylpropylsulfanyl)pentan-2-yl]azanium
PubChem CID20730093
Molecular FormulaC11H29N2O3SSi+
Molecular Weight297.52 g/mol
Exact Mass297.17
IUPAC Name[4-amino-1-(3-trimethoxysilylpropylsulfanyl)pentan-2-yl]azanium
SMILESCO[Si](CCCSCC([NH3+])CC(C)N)(OC)OC
InChIInChI=1S/C11H28N2O3SSi/c1-10(12)8-11(13)9-17-6-5-7-18(14-2,15-3)16-4/h10-11H,5-9,12-13H2,1-4H3/p+1
InChIKeyGYKABUGIJGLSLR-UHFFFAOYSA-O
XLogP0.34
TPSA81.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.52
LogP ≤ 50.34
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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Related Compounds

1-(3-Trimethoxysilylpropylsulfanyl)propan-2-amine
CID 20730052
1-(3-Trimethoxysilylpropylsulfanyl)propan-2-ylazanium
CID 20730060
2-(3-Trimethoxysilylpropylsulfanyl)ethanamine
CID 23269126
3-(2-Trimethoxysilylethylsulfanyl)propan-1-amine
CID 59561196
3-(3-Trimethoxysilylpropylsulfanyl)propan-1-amine
CID 59561257
2-(3-Trimethoxysilylpropylsulfanyl)propan-1-amine
CID 140263790
1-(3-Trimethoxysilylpropylsulfanyl)pentane-2,4-diamine
CID 20730094

Frequently Asked Questions

What is the IUPAC name of [4-amino-1-(3-trimethoxysilylpropylsulfanyl)pentan-2-yl]azanium?
The IUPAC name of [4-amino-1-(3-trimethoxysilylpropylsulfanyl)pentan-2-yl]azanium (CID 20730093) is [4-amino-1-(3-trimethoxysilylpropylsulfanyl)pentan-2-yl]azanium.
What is the SMILES notation for [4-amino-1-(3-trimethoxysilylpropylsulfanyl)pentan-2-yl]azanium?
The canonical SMILES for [4-amino-1-(3-trimethoxysilylpropylsulfanyl)pentan-2-yl]azanium is CO[Si](CCCSCC([NH3+])CC(C)N)(OC)OC.
What is the InChIKey of [4-amino-1-(3-trimethoxysilylpropylsulfanyl)pentan-2-yl]azanium?
The InChIKey is GYKABUGIJGLSLR-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H28N2O3SSi/c1-10(12)8-11(13)9-17-6-5-7-18(14-2,15-3)16-4/h10-11H,5-9,12-13H2,1-4H3/p+1.
What are the key properties of [4-amino-1-(3-trimethoxysilylpropylsulfanyl)pentan-2-yl]azanium?
[4-amino-1-(3-trimethoxysilylpropylsulfanyl)pentan-2-yl]azanium has a molecular weight of 297.52 g/mol, XLogP of 0.34, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-1-(3-trimethoxysilylpropylsulfanyl)pentan-2-yl]azanium is sourced from PubChem (CID 20730093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).