3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxy-λ4-sulfanyl]propan-1-amine

C12H35NO3SSi3 — CID 153469765

IUPAC3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxy-λ4-sulfanyl]propan-1-amine
SMILESC[Si](C)(C)O[Si](C)(C)OS(C)(CCCN)O[Si](C)(C)C
InChIInChI=1S/C12H35NO3SSi3/c1-17(12-10-11-13,14-18(2,3)4)15-20(8,9)16-19(5,6)7/h10-13H2,1-9H3
InChIKeyXJCXMDAEZUIXFD-UHFFFAOYSA-N
MW357.74 g/mol
LogP4.02
Rot. Bonds9

About 3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxy-λ4-sulfanyl]propan-1-amine

3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxy-λ4-sulfanyl]propan-1-amine (PubChem CID 153469765) has the molecular formula C12H35NO3SSi3 and a molecular weight of 357.74 g/mol. Its IUPAC name is 3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxy-λ4-sulfanyl]propan-1-amine.

Molecular Properties

Compound Name3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxy-λ4-sulfanyl]propan-1-amine
PubChem CID153469765
Molecular FormulaC12H35NO3SSi3
Molecular Weight357.74 g/mol
Exact Mass357.16
IUPAC Name3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxy-λ4-sulfanyl]propan-1-amine
SMILESC[Si](C)(C)O[Si](C)(C)OS(C)(CCCN)O[Si](C)(C)C
InChIInChI=1S/C12H35NO3SSi3/c1-17(12-10-11-13,14-18(2,3)4)15-20(8,9)16-19(5,6)7/h10-13H2,1-9H3
InChIKeyXJCXMDAEZUIXFD-UHFFFAOYSA-N
XLogP4.02
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.74
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxy-λ4-sulfanyl]propan-1-amine?
The IUPAC name of 3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxy-λ4-sulfanyl]propan-1-amine (CID 153469765) is 3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxy-λ4-sulfanyl]propan-1-amine.
What is the SMILES notation for 3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxy-λ4-sulfanyl]propan-1-amine?
The canonical SMILES for 3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxy-λ4-sulfanyl]propan-1-amine is C[Si](C)(C)O[Si](C)(C)OS(C)(CCCN)O[Si](C)(C)C.
What is the InChIKey of 3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxy-λ4-sulfanyl]propan-1-amine?
The InChIKey is XJCXMDAEZUIXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H35NO3SSi3/c1-17(12-10-11-13,14-18(2,3)4)15-20(8,9)16-19(5,6)7/h10-13H2,1-9H3.
What are the key properties of 3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxy-λ4-sulfanyl]propan-1-amine?
3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxy-λ4-sulfanyl]propan-1-amine has a molecular weight of 357.74 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxy-λ4-sulfanyl]propan-1-amine is sourced from PubChem (CID 153469765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).