2-(2-methoxyethylsulfinyl)ethanamine

C5H13NO2S — CID 58684563

IUPAC2-(2-methoxyethylsulfinyl)ethanamine
SMILESCOCCS(=O)CCN
InChIInChI=1S/C5H13NO2S/c1-8-3-5-9(7)4-2-6/h2-6H2,1H3
InChIKeyVESCESDDGIQAMD-UHFFFAOYSA-N
MW151.23 g/mol
LogP-0.66
Rot. Bonds5

About 2-(2-methoxyethylsulfinyl)ethanamine

2-(2-methoxyethylsulfinyl)ethanamine (PubChem CID 58684563) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfinyl)ethanamine.

Molecular Properties

Compound Name2-(2-methoxyethylsulfinyl)ethanamine
PubChem CID58684563
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC Name2-(2-methoxyethylsulfinyl)ethanamine
SMILESCOCCS(=O)CCN
InChIInChI=1S/C5H13NO2S/c1-8-3-5-9(7)4-2-6/h2-6H2,1H3
InChIKeyVESCESDDGIQAMD-UHFFFAOYSA-N
XLogP-0.66
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfinyl)ethanamine?
The IUPAC name of 2-(2-methoxyethylsulfinyl)ethanamine (CID 58684563) is 2-(2-methoxyethylsulfinyl)ethanamine.
What is the SMILES notation for 2-(2-methoxyethylsulfinyl)ethanamine?
The canonical SMILES for 2-(2-methoxyethylsulfinyl)ethanamine is COCCS(=O)CCN.
What is the InChIKey of 2-(2-methoxyethylsulfinyl)ethanamine?
The InChIKey is VESCESDDGIQAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-8-3-5-9(7)4-2-6/h2-6H2,1H3.
What are the key properties of 2-(2-methoxyethylsulfinyl)ethanamine?
2-(2-methoxyethylsulfinyl)ethanamine has a molecular weight of 151.23 g/mol, XLogP of -0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfinyl)ethanamine is sourced from PubChem (CID 58684563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).