2-[2-(2-methylsulfanylethylamino)ethoxy]ethanol

C7H17NO2S — CID 60689478

IUPAC2-[2-(2-methylsulfanylethylamino)ethoxy]ethanol
SMILESCSCCNCCOCCO
InChIInChI=1S/C7H17NO2S/c1-11-7-3-8-2-5-10-6-4-9/h8-9H,2-7H2,1H3
InChIKeyFFOMPYJNDSXRHX-UHFFFAOYSA-N
MW179.28 g/mol
LogP-0.05
Rot. Bonds8

About 2-[2-(2-methylsulfanylethylamino)ethoxy]ethanol

2-[2-(2-methylsulfanylethylamino)ethoxy]ethanol (PubChem CID 60689478) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is 2-[2-(2-methylsulfanylethylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-methylsulfanylethylamino)ethoxy]ethanol
PubChem CID60689478
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC Name2-[2-(2-methylsulfanylethylamino)ethoxy]ethanol
SMILESCSCCNCCOCCO
InChIInChI=1S/C7H17NO2S/c1-11-7-3-8-2-5-10-6-4-9/h8-9H,2-7H2,1H3
InChIKeyFFOMPYJNDSXRHX-UHFFFAOYSA-N
XLogP-0.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-methylsulfanylethylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-methylsulfanylethylamino)ethoxy]ethanol (CID 60689478) is 2-[2-(2-methylsulfanylethylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-methylsulfanylethylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-methylsulfanylethylamino)ethoxy]ethanol is CSCCNCCOCCO.
What is the InChIKey of 2-[2-(2-methylsulfanylethylamino)ethoxy]ethanol?
The InChIKey is FFOMPYJNDSXRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-11-7-3-8-2-5-10-6-4-9/h8-9H,2-7H2,1H3.
What are the key properties of 2-[2-(2-methylsulfanylethylamino)ethoxy]ethanol?
2-[2-(2-methylsulfanylethylamino)ethoxy]ethanol has a molecular weight of 179.28 g/mol, XLogP of -0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylsulfanylethylamino)ethoxy]ethanol is sourced from PubChem (CID 60689478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).