2-(methoxymethylsulfinyl)ethanamine

C4H11NO2S — CID 81175250

IUPAC2-(methoxymethylsulfinyl)ethanamine
SMILESCOCS(=O)CCN
InChIInChI=1S/C4H11NO2S/c1-7-4-8(6)3-2-5/h2-5H2,1H3
InChIKeyGCKHQARRBTULPH-UHFFFAOYSA-N
MW137.20 g/mol
LogP-0.70
Rot. Bonds4

About 2-(methoxymethylsulfinyl)ethanamine

2-(methoxymethylsulfinyl)ethanamine (PubChem CID 81175250) has the molecular formula C4H11NO2S and a molecular weight of 137.20 g/mol. Its IUPAC name is 2-(methoxymethylsulfinyl)ethanamine.

Molecular Properties

Compound Name2-(methoxymethylsulfinyl)ethanamine
PubChem CID81175250
Molecular FormulaC4H11NO2S
Molecular Weight137.20 g/mol
Exact Mass137.05
IUPAC Name2-(methoxymethylsulfinyl)ethanamine
SMILESCOCS(=O)CCN
InChIInChI=1S/C4H11NO2S/c1-7-4-8(6)3-2-5/h2-5H2,1H3
InChIKeyGCKHQARRBTULPH-UHFFFAOYSA-N
XLogP-0.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.20
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(methoxymethylsulfinyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethylsulfinyl)ethanamine?
The IUPAC name of 2-(methoxymethylsulfinyl)ethanamine (CID 81175250) is 2-(methoxymethylsulfinyl)ethanamine.
What is the SMILES notation for 2-(methoxymethylsulfinyl)ethanamine?
The canonical SMILES for 2-(methoxymethylsulfinyl)ethanamine is COCS(=O)CCN.
What is the InChIKey of 2-(methoxymethylsulfinyl)ethanamine?
The InChIKey is GCKHQARRBTULPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2S/c1-7-4-8(6)3-2-5/h2-5H2,1H3.
What are the key properties of 2-(methoxymethylsulfinyl)ethanamine?
2-(methoxymethylsulfinyl)ethanamine has a molecular weight of 137.20 g/mol, XLogP of -0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethylsulfinyl)ethanamine is sourced from PubChem (CID 81175250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).