[3-amino-2-methyl-3-oxo-2-(3-trimethoxysilylpropylsulfanylmethyl)propyl] 3-(3-amino-2-methyl-3-oxopropyl)sulfanylpropanoate

C18H36N2O7S2Si — CID 58971354

IUPAC[3-amino-2-methyl-3-oxo-2-(3-trimethoxysilylpropylsulfanylmethyl)propyl] 3-(3-amino-2-methyl-3-oxopropyl)sulfanylpropanoate
SMILESCO[Si](CCCSCC(C)(COC(=O)CCSCC(C)C(N)=O)C(N)=O)(OC)OC
InChIInChI=1S/C18H36N2O7S2Si/c1-14(16(19)22)11-28-9-7-15(21)27-12-18(2,17(20)23)13-29-8-6-10-30(24-3,25-4)26-5/h14H,6-13H2,1-5H3,(H2,19,22)(H2,20,23)
InChIKeyGSOHLLSZPULVLP-UHFFFAOYSA-N
MW484.71 g/mol
LogP1.27
Rot. Bonds18

About [3-amino-2-methyl-3-oxo-2-(3-trimethoxysilylpropylsulfanylmethyl)propyl] 3-(3-amino-2-methyl-3-oxopropyl)sulfanylpropanoate

[3-amino-2-methyl-3-oxo-2-(3-trimethoxysilylpropylsulfanylmethyl)propyl] 3-(3-amino-2-methyl-3-oxopropyl)sulfanylpropanoate (PubChem CID 58971354) has the molecular formula C18H36N2O7S2Si and a molecular weight of 484.71 g/mol. Its IUPAC name is [3-amino-2-methyl-3-oxo-2-(3-trimethoxysilylpropylsulfanylmethyl)propyl] 3-(3-amino-2-methyl-3-oxopropyl)sulfanylpropanoate.

Molecular Properties

Compound Name[3-amino-2-methyl-3-oxo-2-(3-trimethoxysilylpropylsulfanylmethyl)propyl] 3-(3-amino-2-methyl-3-oxopropyl)sulfanylpropanoate
PubChem CID58971354
Molecular FormulaC18H36N2O7S2Si
Molecular Weight484.71 g/mol
Exact Mass484.17
IUPAC Name[3-amino-2-methyl-3-oxo-2-(3-trimethoxysilylpropylsulfanylmethyl)propyl] 3-(3-amino-2-methyl-3-oxopropyl)sulfanylpropanoate
SMILESCO[Si](CCCSCC(C)(COC(=O)CCSCC(C)C(N)=O)C(N)=O)(OC)OC
InChIInChI=1S/C18H36N2O7S2Si/c1-14(16(19)22)11-28-9-7-15(21)27-12-18(2,17(20)23)13-29-8-6-10-30(24-3,25-4)26-5/h14H,6-13H2,1-5H3,(H2,19,22)(H2,20,23)
InChIKeyGSOHLLSZPULVLP-UHFFFAOYSA-N
XLogP1.27
TPSA140.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.71
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

3-methoxysilylpropyl 3-[3-[2-[[2-[3-[3-(2-methoxyethoxy)-2-methyl-3-oxopropyl]sulfanylpropanoyloxymethyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]methyl]-3-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxy]-2-[3-[2-methyl-3-oxo-3-(3-trimethoxysilylpropoxy)propyl]sulfanylpropanoyloxymethyl]propoxy]-3-oxopropyl]sulfanyl-2-methylpropanoate
CID 123581674
3-[3-[diethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanamide
CID 23597776
1-(3-trimethoxysilylpropylsulfanyl)propan-2-ol
CID 20776575
2-(aziridin-1-yl)ethyl 2-methyl-3-(3-trimethoxysilylpropylsulfanyl)propanoate
CID 54298618
2-hydroxyethyl 2,2-dimethyl-3-(3-trimethoxysilylpropylsulfanyl)propanoate;methyl 2,2-dimethyl-3-(3-triethoxysilylpropylsulfanyl)propanoate;methyl 2,2-dimethyl-3-(3-trimethoxysilylpropylsulfanyl)propanoate;methyl 2-methyl-3-(3-trimethoxysilylpropylsulfanyl)propanoate
CID 91077038
2-[3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoyl]oxyethyl 3-[3-[dimethoxy(methyl)silyl]propylsulfanyl]-2-methylpropanoate
CID 59305886
[3-[3-(2-methylpropylsulfanyl)propanoyloxy]-2-[[3-[3-(2-methylpropylsulfanyl)propanoyloxy]-2,2-bis[3-(2-methylpropylsulfanyl)propanoyloxymethyl]propoxy]methyl]-2-[3-(2-methylpropylsulfanyl)propanoyloxymethyl]propyl] 3-(2-methylpropylsulfanyl)propanoate
CID 140903576
3-(3-methoxyperoxysilylpropylsulfanyl)-2-methylpropanamide
CID 123182224
[2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propyl] 3-[3-[3-[3-[3-[2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propoxy]-2-methyl-3-oxopropyl]sulfanylpropanoyloxy]-2,2-bis[3-[3-[2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propoxy]-2-methyl-3-oxopropyl]sulfanylpropanoyloxymethyl]propoxy]-3-oxopropyl]sulfanyl-2-methylpropanoate
CID 177077939
4-[2-methyl-3-(3-triethoxysilylpropylsulfanyl)propanoyl]oxybutyl 2-methyl-3-(3-triethoxysilylpropylsulfanyl)propanoate
CID 59305878
methyl 3-(3-amino-2-methyl-3-oxopropyl)sulfanyl-2-methylpropanoate
CID 66114217
N,N,2,2-tetramethyl-3-(3-trimethoxysilylpropylsulfanyl)propanamide;N-[1-(3-trimethoxysilylpropylsulfanyl)propan-2-yl]acetamide;N,N,2-trimethyl-3-(3-triethoxysilylpropylsulfanyl)propanamide
CID 90747270

Frequently Asked Questions

What is the IUPAC name of [3-amino-2-methyl-3-oxo-2-(3-trimethoxysilylpropylsulfanylmethyl)propyl] 3-(3-amino-2-methyl-3-oxopropyl)sulfanylpropanoate?
The IUPAC name of [3-amino-2-methyl-3-oxo-2-(3-trimethoxysilylpropylsulfanylmethyl)propyl] 3-(3-amino-2-methyl-3-oxopropyl)sulfanylpropanoate (CID 58971354) is [3-amino-2-methyl-3-oxo-2-(3-trimethoxysilylpropylsulfanylmethyl)propyl] 3-(3-amino-2-methyl-3-oxopropyl)sulfanylpropanoate.
What is the SMILES notation for [3-amino-2-methyl-3-oxo-2-(3-trimethoxysilylpropylsulfanylmethyl)propyl] 3-(3-amino-2-methyl-3-oxopropyl)sulfanylpropanoate?
The canonical SMILES for [3-amino-2-methyl-3-oxo-2-(3-trimethoxysilylpropylsulfanylmethyl)propyl] 3-(3-amino-2-methyl-3-oxopropyl)sulfanylpropanoate is CO[Si](CCCSCC(C)(COC(=O)CCSCC(C)C(N)=O)C(N)=O)(OC)OC.
What is the InChIKey of [3-amino-2-methyl-3-oxo-2-(3-trimethoxysilylpropylsulfanylmethyl)propyl] 3-(3-amino-2-methyl-3-oxopropyl)sulfanylpropanoate?
The InChIKey is GSOHLLSZPULVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O7S2Si/c1-14(16(19)22)11-28-9-7-15(21)27-12-18(2,17(20)23)13-29-8-6-10-30(24-3,25-4)26-5/h14H,6-13H2,1-5H3,(H2,19,22)(H2,20,23).
What are the key properties of [3-amino-2-methyl-3-oxo-2-(3-trimethoxysilylpropylsulfanylmethyl)propyl] 3-(3-amino-2-methyl-3-oxopropyl)sulfanylpropanoate?
[3-amino-2-methyl-3-oxo-2-(3-trimethoxysilylpropylsulfanylmethyl)propyl] 3-(3-amino-2-methyl-3-oxopropyl)sulfanylpropanoate has a molecular weight of 484.71 g/mol, XLogP of 1.27, 18 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-2-methyl-3-oxo-2-(3-trimethoxysilylpropylsulfanylmethyl)propyl] 3-(3-amino-2-methyl-3-oxopropyl)sulfanylpropanoate is sourced from PubChem (CID 58971354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).