dichloromethane;2-methoxyethyl 3-[(3-oxo-6-triethoxysilylhexyl)-[2-(pyridin-2-yldisulfanyl)ethyl]amino]propanoate

C26H46Cl2N2O7S2Si — CID 158273093

IUPACdichloromethane;2-methoxyethyl 3-[(3-oxo-6-triethoxysilylhexyl)-[2-(pyridin-2-yldisulfanyl)ethyl]amino]propanoate
SMILESCCO[Si](CCCC(=O)CCN(CCSSc1ccccn1)CCC(=O)OCCOC)(OCC)OCC.ClCCl
InChIInChI=1S/C25H44N2O7S2Si.CH2Cl2/c1-5-32-37(33-6-2,34-7-3)22-10-11-23(28)13-16-27(17-14-25(29)31-20-19-30-4)18-21-35-36-24-12-8-9-15-26-24;2-1-3/h8-9,12,15H,5-7,10-11,13-14,16-22H2,1-4H3;1H2
InChIKeyGJHBGMYBYKOKIT-UHFFFAOYSA-N
MW661.79 g/mol
LogP5.91
Rot. Bonds24

About dichloromethane;2-methoxyethyl 3-[(3-oxo-6-triethoxysilylhexyl)-[2-(pyridin-2-yldisulfanyl)ethyl]amino]propanoate

dichloromethane;2-methoxyethyl 3-[(3-oxo-6-triethoxysilylhexyl)-[2-(pyridin-2-yldisulfanyl)ethyl]amino]propanoate (PubChem CID 158273093) has the molecular formula C26H46Cl2N2O7S2Si and a molecular weight of 661.79 g/mol. Its IUPAC name is dichloromethane;2-methoxyethyl 3-[(3-oxo-6-triethoxysilylhexyl)-[2-(pyridin-2-yldisulfanyl)ethyl]amino]propanoate.

Molecular Properties

Compound Namedichloromethane;2-methoxyethyl 3-[(3-oxo-6-triethoxysilylhexyl)-[2-(pyridin-2-yldisulfanyl)ethyl]amino]propanoate
PubChem CID158273093
Molecular FormulaC26H46Cl2N2O7S2Si
Molecular Weight661.79 g/mol
Exact Mass660.19
IUPAC Namedichloromethane;2-methoxyethyl 3-[(3-oxo-6-triethoxysilylhexyl)-[2-(pyridin-2-yldisulfanyl)ethyl]amino]propanoate
SMILESCCO[Si](CCCC(=O)CCN(CCSSc1ccccn1)CCC(=O)OCCOC)(OCC)OCC.ClCCl
InChIInChI=1S/C25H44N2O7S2Si.CH2Cl2/c1-5-32-37(33-6-2,34-7-3)22-10-11-23(28)13-16-27(17-14-25(29)31-20-19-30-4)18-21-35-36-24-12-8-9-15-26-24;2-1-3/h8-9,12,15H,5-7,10-11,13-14,16-22H2,1-4H3;1H2
InChIKeyGJHBGMYBYKOKIT-UHFFFAOYSA-N
XLogP5.91
TPSA96.42 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds24
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500661.79
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze dichloromethane;2-methoxyethyl 3-[(3-oxo-6-triethoxysilylhexyl)-[2-(pyridin-2-yldisulfanyl)ethyl]amino]propanoate with MolForge

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Related Compounds

butyl 4-(pyridin-2-yldisulfanyl)butanoate
CID 90322335
ethyl 4-pyridin-2-ylsulfanylbutanoate
CID 66684876
methyl 4-[3-(pyridin-2-yldisulfanyl)propanoylamino]butanoate
CID 129092686
4-oxo-6-(pyridin-2-yldisulfanyl)hexanehydrazide
CID 158671854
N-(ethoxymethyl)-3-(pyridin-2-yldisulfanyl)propanamide
CID 59937202
N-[6-oxo-8-(pyridin-2-yldisulfanyl)octyl]-3-(pyridin-2-yldisulfanyl)propanamide
CID 58435587
N-(8-methoxy-3,3,6,6-tetramethyloctyl)-3-(pyridin-2-yldisulfanyl)propanamide
CID 123332520
3-triethoxysilylpropyl pyridine-2-carboxylate
CID 68836141
ethyl 2-pyridin-2-ylsulfanylacetate
CID 6464675
2-[4-[2-(pyridin-2-yldisulfanyl)ethyl]piperazin-1-yl]ethyl 5-[bis(2-hydroxydodecyl)amino]pentanoate
CID 166078596
[formyl(methyl)amino] 3-(pyridin-2-yldisulfanyl)propanoate
CID 143394194
2-[carboxymethyl-[methyl-[2-(pyridin-2-yldisulfanyl)ethyl]amino]phosphoryl]acetic acid
CID 118426455

Frequently Asked Questions

What is the IUPAC name of dichloromethane;2-methoxyethyl 3-[(3-oxo-6-triethoxysilylhexyl)-[2-(pyridin-2-yldisulfanyl)ethyl]amino]propanoate?
The IUPAC name of dichloromethane;2-methoxyethyl 3-[(3-oxo-6-triethoxysilylhexyl)-[2-(pyridin-2-yldisulfanyl)ethyl]amino]propanoate (CID 158273093) is dichloromethane;2-methoxyethyl 3-[(3-oxo-6-triethoxysilylhexyl)-[2-(pyridin-2-yldisulfanyl)ethyl]amino]propanoate.
What is the SMILES notation for dichloromethane;2-methoxyethyl 3-[(3-oxo-6-triethoxysilylhexyl)-[2-(pyridin-2-yldisulfanyl)ethyl]amino]propanoate?
The canonical SMILES for dichloromethane;2-methoxyethyl 3-[(3-oxo-6-triethoxysilylhexyl)-[2-(pyridin-2-yldisulfanyl)ethyl]amino]propanoate is CCO[Si](CCCC(=O)CCN(CCSSc1ccccn1)CCC(=O)OCCOC)(OCC)OCC.ClCCl.
What is the InChIKey of dichloromethane;2-methoxyethyl 3-[(3-oxo-6-triethoxysilylhexyl)-[2-(pyridin-2-yldisulfanyl)ethyl]amino]propanoate?
The InChIKey is GJHBGMYBYKOKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N2O7S2Si.CH2Cl2/c1-5-32-37(33-6-2,34-7-3)22-10-11-23(28)13-16-27(17-14-25(29)31-20-19-30-4)18-21-35-36-24-12-8-9-15-26-24;2-1-3/h8-9,12,15H,5-7,10-11,13-14,16-22H2,1-4H3;1H2.
What are the key properties of dichloromethane;2-methoxyethyl 3-[(3-oxo-6-triethoxysilylhexyl)-[2-(pyridin-2-yldisulfanyl)ethyl]amino]propanoate?
dichloromethane;2-methoxyethyl 3-[(3-oxo-6-triethoxysilylhexyl)-[2-(pyridin-2-yldisulfanyl)ethyl]amino]propanoate has a molecular weight of 661.79 g/mol, XLogP of 5.91, 24 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;2-methoxyethyl 3-[(3-oxo-6-triethoxysilylhexyl)-[2-(pyridin-2-yldisulfanyl)ethyl]amino]propanoate is sourced from PubChem (CID 158273093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).