2-[2-(methylcarbamoyloxy)ethyldisulfanyl]ethyl N-[3-[dimethoxy(methyl)silyl]propyl]carbamate

C13H28N2O6S2Si — CID 174110357

IUPAC2-[2-(methylcarbamoyloxy)ethyldisulfanyl]ethyl N-[3-[dimethoxy(methyl)silyl]propyl]carbamate
SMILESCNC(=O)OCCSSCCOC(=O)NCCC[Si](C)(OC)OC
InChIInChI=1S/C13H28N2O6S2Si/c1-14-12(16)20-7-9-22-23-10-8-21-13(17)15-6-5-11-24(4,18-2)19-3/h5-11H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyZHAFRAFHSSOWRB-UHFFFAOYSA-N
MW400.60 g/mol
LogP2.20
Rot. Bonds13

About 2-[2-(methylcarbamoyloxy)ethyldisulfanyl]ethyl N-[3-[dimethoxy(methyl)silyl]propyl]carbamate

2-[2-(methylcarbamoyloxy)ethyldisulfanyl]ethyl N-[3-[dimethoxy(methyl)silyl]propyl]carbamate (PubChem CID 174110357) has the molecular formula C13H28N2O6S2Si and a molecular weight of 400.60 g/mol. Its IUPAC name is 2-[2-(methylcarbamoyloxy)ethyldisulfanyl]ethyl N-[3-[dimethoxy(methyl)silyl]propyl]carbamate.

Molecular Properties

Compound Name2-[2-(methylcarbamoyloxy)ethyldisulfanyl]ethyl N-[3-[dimethoxy(methyl)silyl]propyl]carbamate
PubChem CID174110357
Molecular FormulaC13H28N2O6S2Si
Molecular Weight400.60 g/mol
Exact Mass400.12
IUPAC Name2-[2-(methylcarbamoyloxy)ethyldisulfanyl]ethyl N-[3-[dimethoxy(methyl)silyl]propyl]carbamate
SMILESCNC(=O)OCCSSCCOC(=O)NCCC[Si](C)(OC)OC
InChIInChI=1S/C13H28N2O6S2Si/c1-14-12(16)20-7-9-22-23-10-8-21-13(17)15-6-5-11-24(4,18-2)19-3/h5-11H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyZHAFRAFHSSOWRB-UHFFFAOYSA-N
XLogP2.20
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.60
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(3-oxopropyldisulfanyl)ethyl N-methylcarbamate
CID 122630071
3-[dimethoxy(methyl)silyl]propyl N-[2-(3-methyl-2-oxobut-3-enoxy)ethyl]carbamate
CID 158336407
2-[3-(methoxy-methyl-trimethylsilyloxysilyl)propoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 58983328
N-[3-[dimethoxy(methyl)silyl]propyl]prop-2-enamide
CID 23152140
2-[2-(6-isocyanatohexylcarbamoyloxy)ethyldisulfanyl]ethyl N-(6-isocyanatohexyl)carbamate
CID 59502567
2-[2,4,6-trioxo-3,5-bis[2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl N-(3-trimethoxysilylpropyl)carbamate
CID 59824458
2-(disulfanyl)ethyl N-methylcarbamate
CID 144923803
2-[N-(2-hydroxyethyl)-4-nitrosoanilino]ethyl N-[3-[dimethoxy(methyl)silyl]propyl]carbamate
CID 87199285
6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate
CID 171791213
2-[2-(2-methoxyethyldisulfanyl)ethoxycarbonylamino]ethyl prop-2-enoate
CID 139453995
2-(3-trimethoxysilylpropylcarbamoyloxy)ethyl N-[3-[ethyl(dimethoxy)silyl]propyl]carbamate
CID 174034551
6-(2,5-dioxopyrrol-1-yl)hexyl 2-[2-(methylcarbamoyloxy)ethyldisulfanyl]ethyl carbonate
CID 169042160

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylcarbamoyloxy)ethyldisulfanyl]ethyl N-[3-[dimethoxy(methyl)silyl]propyl]carbamate?
The IUPAC name of 2-[2-(methylcarbamoyloxy)ethyldisulfanyl]ethyl N-[3-[dimethoxy(methyl)silyl]propyl]carbamate (CID 174110357) is 2-[2-(methylcarbamoyloxy)ethyldisulfanyl]ethyl N-[3-[dimethoxy(methyl)silyl]propyl]carbamate.
What is the SMILES notation for 2-[2-(methylcarbamoyloxy)ethyldisulfanyl]ethyl N-[3-[dimethoxy(methyl)silyl]propyl]carbamate?
The canonical SMILES for 2-[2-(methylcarbamoyloxy)ethyldisulfanyl]ethyl N-[3-[dimethoxy(methyl)silyl]propyl]carbamate is CNC(=O)OCCSSCCOC(=O)NCCC[Si](C)(OC)OC.
What is the InChIKey of 2-[2-(methylcarbamoyloxy)ethyldisulfanyl]ethyl N-[3-[dimethoxy(methyl)silyl]propyl]carbamate?
The InChIKey is ZHAFRAFHSSOWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O6S2Si/c1-14-12(16)20-7-9-22-23-10-8-21-13(17)15-6-5-11-24(4,18-2)19-3/h5-11H2,1-4H3,(H,14,16)(H,15,17).
What are the key properties of 2-[2-(methylcarbamoyloxy)ethyldisulfanyl]ethyl N-[3-[dimethoxy(methyl)silyl]propyl]carbamate?
2-[2-(methylcarbamoyloxy)ethyldisulfanyl]ethyl N-[3-[dimethoxy(methyl)silyl]propyl]carbamate has a molecular weight of 400.60 g/mol, XLogP of 2.20, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylcarbamoyloxy)ethyldisulfanyl]ethyl N-[3-[dimethoxy(methyl)silyl]propyl]carbamate is sourced from PubChem (CID 174110357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).