2-(2-ethoxyethoxy)ethyl 3-[2-(diethylamino)ethylsulfanyl]propanoate

C15H31NO4S — CID 164738857

IUPAC2-(2-ethoxyethoxy)ethyl 3-[2-(diethylamino)ethylsulfanyl]propanoate
SMILESCCOCCOCCOC(=O)CCSCCN(CC)CC
InChIInChI=1S/C15H31NO4S/c1-4-16(5-2)8-14-21-13-7-15(17)20-12-11-19-10-9-18-6-3/h4-14H2,1-3H3
InChIKeyVKSZEKBUHJOCFG-UHFFFAOYSA-N
MW321.48 g/mol
LogP2.05
Rot. Bonds15

About 2-(2-ethoxyethoxy)ethyl 3-[2-(diethylamino)ethylsulfanyl]propanoate

2-(2-ethoxyethoxy)ethyl 3-[2-(diethylamino)ethylsulfanyl]propanoate (PubChem CID 164738857) has the molecular formula C15H31NO4S and a molecular weight of 321.48 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl 3-[2-(diethylamino)ethylsulfanyl]propanoate.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl 3-[2-(diethylamino)ethylsulfanyl]propanoate
PubChem CID164738857
Molecular FormulaC15H31NO4S
Molecular Weight321.48 g/mol
Exact Mass321.20
IUPAC Name2-(2-ethoxyethoxy)ethyl 3-[2-(diethylamino)ethylsulfanyl]propanoate
SMILESCCOCCOCCOC(=O)CCSCCN(CC)CC
InChIInChI=1S/C15H31NO4S/c1-4-16(5-2)8-14-21-13-7-15(17)20-12-11-19-10-9-18-6-3/h4-14H2,1-3H3
InChIKeyVKSZEKBUHJOCFG-UHFFFAOYSA-N
XLogP2.05
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.48
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-propoxyethyl 3-(diethylamino)propanoate
CID 58184879
ethyl 3-[(3-ethoxy-3-oxopropyl)-[2-(3-ethoxy-3-oxopropyl)sulfanylethyl]amino]propanoate
CID 154659479
[2-[3-[3-[2-(2-ethoxyethoxy)ethoxy]-3-oxopropyl]sulfanylpropanoyloxymethyl]-2-(3-sulfanylpropanoyloxymethyl)butyl] 3-sulfanylpropanoate
CID 58426016
2-[2-[2-(3-methylsulfanylpropanoyloxy)ethoxy]ethoxy]ethyl 3-methylsulfanylpropanoate
CID 172537073
ethyl 3-[2-(3-ethoxy-3-oxopropyl)sulfanylethyl-(3-oxobutyl)amino]propanoate
CID 164992621
2-[2-[2-[2-[2-[2-(diethylamino)ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-N-ethyl-N-methylethanamine
CID 165060466
2-ethoxyethyl 3-[bis(2-acetyloxyethyl)amino]propanoate
CID 23544927
bis[2-(2-ethoxyethoxy)ethyl] propanedioate
CID 164851647
2-[bis[2-(3-dodecylsulfanylpropanoyloxy)ethyl]amino]ethyl 3-dodecylsulfanylpropanoate
CID 58939640
2-ethoxyethyl 4-oxopentanoate
CID 22556205
4-O-[3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-4-oxobutanoyl]oxy-2,2-bis[[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-4-oxobutanoyl]oxymethyl]propyl] 1-O-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl] butanedioate
CID 88853370
2-[2-(2-ethoxyethoxy)ethoxy]ethyl hexadecanoate
CID 150033358

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethyl 3-[2-(diethylamino)ethylsulfanyl]propanoate?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl 3-[2-(diethylamino)ethylsulfanyl]propanoate (CID 164738857) is 2-(2-ethoxyethoxy)ethyl 3-[2-(diethylamino)ethylsulfanyl]propanoate.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl 3-[2-(diethylamino)ethylsulfanyl]propanoate?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl 3-[2-(diethylamino)ethylsulfanyl]propanoate is CCOCCOCCOC(=O)CCSCCN(CC)CC.
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl 3-[2-(diethylamino)ethylsulfanyl]propanoate?
The InChIKey is VKSZEKBUHJOCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO4S/c1-4-16(5-2)8-14-21-13-7-15(17)20-12-11-19-10-9-18-6-3/h4-14H2,1-3H3.
What are the key properties of 2-(2-ethoxyethoxy)ethyl 3-[2-(diethylamino)ethylsulfanyl]propanoate?
2-(2-ethoxyethoxy)ethyl 3-[2-(diethylamino)ethylsulfanyl]propanoate has a molecular weight of 321.48 g/mol, XLogP of 2.05, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethyl 3-[2-(diethylamino)ethylsulfanyl]propanoate is sourced from PubChem (CID 164738857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).