2-[2-(diethylamino)ethylsulfanyl]ethanol

C8H19NOS — CID 5256545

IUPAC2-[2-(diethylamino)ethylsulfanyl]ethanol
SMILESCCN(CC)CCSCCO
InChIInChI=1S/C8H19NOS/c1-3-9(4-2)5-7-11-8-6-10/h10H,3-8H2,1-2H3
InChIKeyZSMVYYXSXNGAGQ-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.05
Rot. Bonds7

About 2-[2-(diethylamino)ethylsulfanyl]ethanol

2-[2-(diethylamino)ethylsulfanyl]ethanol (PubChem CID 5256545) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylsulfanyl]ethanol
PubChem CID5256545
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name2-[2-(diethylamino)ethylsulfanyl]ethanol
SMILESCCN(CC)CCSCCO
InChIInChI=1S/C8H19NOS/c1-3-9(4-2)5-7-11-8-6-10/h10H,3-8H2,1-2H3
InChIKeyZSMVYYXSXNGAGQ-UHFFFAOYSA-N
XLogP1.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylsulfanyl]ethanol?
The IUPAC name of 2-[2-(diethylamino)ethylsulfanyl]ethanol (CID 5256545) is 2-[2-(diethylamino)ethylsulfanyl]ethanol.
What is the SMILES notation for 2-[2-(diethylamino)ethylsulfanyl]ethanol?
The canonical SMILES for 2-[2-(diethylamino)ethylsulfanyl]ethanol is CCN(CC)CCSCCO.
What is the InChIKey of 2-[2-(diethylamino)ethylsulfanyl]ethanol?
The InChIKey is ZSMVYYXSXNGAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-3-9(4-2)5-7-11-8-6-10/h10H,3-8H2,1-2H3.
What are the key properties of 2-[2-(diethylamino)ethylsulfanyl]ethanol?
2-[2-(diethylamino)ethylsulfanyl]ethanol has a molecular weight of 177.31 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylsulfanyl]ethanol is sourced from PubChem (CID 5256545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).