2-(2,2-dimethoxyethylsulfanyl)-N,N-diethylethanamine

C10H23NO2S — CID 66223439

IUPAC2-(2,2-dimethoxyethylsulfanyl)-N,N-diethylethanamine
SMILESCCN(CC)CCSCC(OC)OC
InChIInChI=1S/C10H23NO2S/c1-5-11(6-2)7-8-14-9-10(12-3)13-4/h10H,5-9H2,1-4H3
InChIKeySJXKUZRDJHTXFF-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.68
Rot. Bonds9

About 2-(2,2-dimethoxyethylsulfanyl)-N,N-diethylethanamine

2-(2,2-dimethoxyethylsulfanyl)-N,N-diethylethanamine (PubChem CID 66223439) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethylsulfanyl)-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(2,2-dimethoxyethylsulfanyl)-N,N-diethylethanamine
PubChem CID66223439
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name2-(2,2-dimethoxyethylsulfanyl)-N,N-diethylethanamine
SMILESCCN(CC)CCSCC(OC)OC
InChIInChI=1S/C10H23NO2S/c1-5-11(6-2)7-8-14-9-10(12-3)13-4/h10H,5-9H2,1-4H3
InChIKeySJXKUZRDJHTXFF-UHFFFAOYSA-N
XLogP1.68
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxyethylsulfanyl)-N,N-diethylethanamine?
The IUPAC name of 2-(2,2-dimethoxyethylsulfanyl)-N,N-diethylethanamine (CID 66223439) is 2-(2,2-dimethoxyethylsulfanyl)-N,N-diethylethanamine.
What is the SMILES notation for 2-(2,2-dimethoxyethylsulfanyl)-N,N-diethylethanamine?
The canonical SMILES for 2-(2,2-dimethoxyethylsulfanyl)-N,N-diethylethanamine is CCN(CC)CCSCC(OC)OC.
What is the InChIKey of 2-(2,2-dimethoxyethylsulfanyl)-N,N-diethylethanamine?
The InChIKey is SJXKUZRDJHTXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-5-11(6-2)7-8-14-9-10(12-3)13-4/h10H,5-9H2,1-4H3.
What are the key properties of 2-(2,2-dimethoxyethylsulfanyl)-N,N-diethylethanamine?
2-(2,2-dimethoxyethylsulfanyl)-N,N-diethylethanamine has a molecular weight of 221.37 g/mol, XLogP of 1.68, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethylsulfanyl)-N,N-diethylethanamine is sourced from PubChem (CID 66223439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).