3-[3-[diethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanamide

C12H27NO3SSi — CID 23597776

IUPAC3-[3-[diethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanamide
SMILESCCO[Si](C)(CCCSCC(C)C(N)=O)OCC
InChIInChI=1S/C12H27NO3SSi/c1-5-15-18(4,16-6-2)9-7-8-17-10-11(3)12(13)14/h11H,5-10H2,1-4H3,(H2,13,14)
InChIKeyHKTQTJAYOHLVFU-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.38
Rot. Bonds11

About 3-[3-[diethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanamide

3-[3-[diethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanamide (PubChem CID 23597776) has the molecular formula C12H27NO3SSi and a molecular weight of 293.50 g/mol. Its IUPAC name is 3-[3-[diethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-[3-[diethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanamide
PubChem CID23597776
Molecular FormulaC12H27NO3SSi
Molecular Weight293.50 g/mol
Exact Mass293.15
IUPAC Name3-[3-[diethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanamide
SMILESCCO[Si](C)(CCCSCC(C)C(N)=O)OCC
InChIInChI=1S/C12H27NO3SSi/c1-5-15-18(4,16-6-2)9-7-8-17-10-11(3)12(13)14/h11H,5-10H2,1-4H3,(H2,13,14)
InChIKeyHKTQTJAYOHLVFU-UHFFFAOYSA-N
XLogP2.38
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.38
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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Related Compounds

4-[2-methyl-3-(3-triethoxysilylpropylsulfanyl)propanoyl]oxybutyl 2-methyl-3-(3-triethoxysilylpropylsulfanyl)propanoate
CID 59305878
2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate
CID 59305886
1,17-bis[diethoxy(methyl)silyl]-8,10-dimethylheptadecan-9-one
CID 87593412
ethyl 2-methyl-3-pentylsulfanylpropanoate
CID 107746182
bis[3-[diethoxy(methyl)silyl]propyl] carbonate
CID 54561598
3-(3-methoxyperoxysilylpropylsulfanyl)-2-methylpropanamide
CID 123182224
2-methyl-3-[3-(oxiran-2-ylmethylperoxy)propylsulfanyl]propanamide
CID 58607705
1-[3-[dimethoxy(methyl)silyl]propylsulfanyl]propan-2-ol
CID 59435047
triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]-2-methylpropanoate
CID 88852273
methyl 3-(3-amino-2-methyl-3-oxopropyl)sulfanyl-2-methylpropanoate
CID 66114217
ethyl 3-(3-methoxypropylsulfanyl)-2-methylpropanoate
CID 63856088
[3-amino-2-methyl-3-oxo-2-(3-trimethoxysilylpropylsulfanylmethyl)propyl] 3-(3-amino-2-methyl-3-oxopropyl)sulfanylpropanoate
CID 58971354

Frequently Asked Questions

What is the IUPAC name of 3-[3-[diethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanamide?
The IUPAC name of 3-[3-[diethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanamide (CID 23597776) is 3-[3-[diethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanamide.
What is the SMILES notation for 3-[3-[diethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanamide?
The canonical SMILES for 3-[3-[diethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanamide is CCO[Si](C)(CCCSCC(C)C(N)=O)OCC.
What is the InChIKey of 3-[3-[diethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanamide?
The InChIKey is HKTQTJAYOHLVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3SSi/c1-5-15-18(4,16-6-2)9-7-8-17-10-11(3)12(13)14/h11H,5-10H2,1-4H3,(H2,13,14).
What are the key properties of 3-[3-[diethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanamide?
3-[3-[diethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanamide has a molecular weight of 293.50 g/mol, XLogP of 2.38, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[diethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanamide is sourced from PubChem (CID 23597776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).