3-(3-methoxyperoxysilylpropylsulfanyl)-2-methylpropanamide

C8H19NO4SSi — CID 123182224

IUPAC3-(3-methoxyperoxysilylpropylsulfanyl)-2-methylpropanamide
SMILESCOOO[SiH2]CCCSCC(C)C(N)=O
InChIInChI=1S/C8H19NO4SSi/c1-7(8(9)10)6-14-4-3-5-15-13-12-11-2/h7H,3-6,15H2,1-2H3,(H2,9,10)
InChIKeyYLXVCGWGFOVTGU-UHFFFAOYSA-N
MW253.40 g/mol
LogP0.24
Rot. Bonds10

About 3-(3-methoxyperoxysilylpropylsulfanyl)-2-methylpropanamide

3-(3-methoxyperoxysilylpropylsulfanyl)-2-methylpropanamide (PubChem CID 123182224) has the molecular formula C8H19NO4SSi and a molecular weight of 253.40 g/mol. Its IUPAC name is 3-(3-methoxyperoxysilylpropylsulfanyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(3-methoxyperoxysilylpropylsulfanyl)-2-methylpropanamide
PubChem CID123182224
Molecular FormulaC8H19NO4SSi
Molecular Weight253.40 g/mol
Exact Mass253.08
IUPAC Name3-(3-methoxyperoxysilylpropylsulfanyl)-2-methylpropanamide
SMILESCOOO[SiH2]CCCSCC(C)C(N)=O
InChIInChI=1S/C8H19NO4SSi/c1-7(8(9)10)6-14-4-3-5-15-13-12-11-2/h7H,3-6,15H2,1-2H3,(H2,9,10)
InChIKeyYLXVCGWGFOVTGU-UHFFFAOYSA-N
XLogP0.24
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 50.24
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(3-amino-2-methyl-3-oxopropyl)sulfanyl-2-methylpropanoate
CID 66114217
3-[3-[diethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanamide
CID 23597776
2-methyl-3-[3-(oxiran-2-ylmethylperoxy)propylsulfanyl]propanamide
CID 58607705
(2R)-2-methyl-3-methylsulfanylpropanamide
CID 118633949
methyl 3-decylsulfanyl-2-methylpropanoate
CID 66112872
methyl 3-(6-hydroxyhexylsulfanyl)-2-methylpropanoate
CID 103736343
ethyl 3-(3-methoxypropylsulfanyl)-2-methylpropanoate
CID 63856088
ethyl 2-methyl-3-pentylsulfanylpropanoate
CID 107746182
methyl 3-(3-ethoxypropylsulfanyl)-2-methylpropanoate
CID 65419600
[3-amino-2-methyl-3-oxo-2-(3-trimethoxysilylpropylsulfanylmethyl)propyl] 3-(3-amino-2-methyl-3-oxopropyl)sulfanylpropanoate
CID 58971354
3-(4-methoxy-4-oxobutyl)sulfanyl-2-methylpropanoic acid
CID 64916290
methyl 3-(2-ethylsulfanylethylsulfanyl)-2-methylpropanoate
CID 115646956

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyperoxysilylpropylsulfanyl)-2-methylpropanamide?
The IUPAC name of 3-(3-methoxyperoxysilylpropylsulfanyl)-2-methylpropanamide (CID 123182224) is 3-(3-methoxyperoxysilylpropylsulfanyl)-2-methylpropanamide.
What is the SMILES notation for 3-(3-methoxyperoxysilylpropylsulfanyl)-2-methylpropanamide?
The canonical SMILES for 3-(3-methoxyperoxysilylpropylsulfanyl)-2-methylpropanamide is COOO[SiH2]CCCSCC(C)C(N)=O.
What is the InChIKey of 3-(3-methoxyperoxysilylpropylsulfanyl)-2-methylpropanamide?
The InChIKey is YLXVCGWGFOVTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4SSi/c1-7(8(9)10)6-14-4-3-5-15-13-12-11-2/h7H,3-6,15H2,1-2H3,(H2,9,10).
What are the key properties of 3-(3-methoxyperoxysilylpropylsulfanyl)-2-methylpropanamide?
3-(3-methoxyperoxysilylpropylsulfanyl)-2-methylpropanamide has a molecular weight of 253.40 g/mol, XLogP of 0.24, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyperoxysilylpropylsulfanyl)-2-methylpropanamide is sourced from PubChem (CID 123182224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).