2-[methoxy(2-methylsulfanylethyl)amino]ethanol

C6H15NO2S — CID 130737654

IUPAC2-[methoxy(2-methylsulfanylethyl)amino]ethanol
SMILESCON(CCO)CCSC
InChIInChI=1S/C6H15NO2S/c1-9-7(3-5-8)4-6-10-2/h8H,3-6H2,1-2H3
InChIKeyOQTTVPVTZSWXLK-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.21
Rot. Bonds6

About 2-[methoxy(2-methylsulfanylethyl)amino]ethanol

2-[methoxy(2-methylsulfanylethyl)amino]ethanol (PubChem CID 130737654) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is 2-[methoxy(2-methylsulfanylethyl)amino]ethanol.

Molecular Properties

Compound Name2-[methoxy(2-methylsulfanylethyl)amino]ethanol
PubChem CID130737654
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC Name2-[methoxy(2-methylsulfanylethyl)amino]ethanol
SMILESCON(CCO)CCSC
InChIInChI=1S/C6H15NO2S/c1-9-7(3-5-8)4-6-10-2/h8H,3-6H2,1-2H3
InChIKeyOQTTVPVTZSWXLK-UHFFFAOYSA-N
XLogP0.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(2-methylsulfanylethyl)amino]ethanol?
The IUPAC name of 2-[methoxy(2-methylsulfanylethyl)amino]ethanol (CID 130737654) is 2-[methoxy(2-methylsulfanylethyl)amino]ethanol.
What is the SMILES notation for 2-[methoxy(2-methylsulfanylethyl)amino]ethanol?
The canonical SMILES for 2-[methoxy(2-methylsulfanylethyl)amino]ethanol is CON(CCO)CCSC.
What is the InChIKey of 2-[methoxy(2-methylsulfanylethyl)amino]ethanol?
The InChIKey is OQTTVPVTZSWXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-9-7(3-5-8)4-6-10-2/h8H,3-6H2,1-2H3.
What are the key properties of 2-[methoxy(2-methylsulfanylethyl)amino]ethanol?
2-[methoxy(2-methylsulfanylethyl)amino]ethanol has a molecular weight of 165.26 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(2-methylsulfanylethyl)amino]ethanol is sourced from PubChem (CID 130737654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).