2-(2-methylsulfanylethoxy)ethanamine

C5H13NOS — CID 57125874

IUPAC2-(2-methylsulfanylethoxy)ethanamine
SMILESCSCCOCCN
InChIInChI=1S/C5H13NOS/c1-8-5-4-7-3-2-6/h2-6H2,1H3
InChIKeyBVASOOGTZDMJRI-UHFFFAOYSA-N
MW135.23 g/mol
LogP0.32
Rot. Bonds5

About 2-(2-methylsulfanylethoxy)ethanamine

2-(2-methylsulfanylethoxy)ethanamine (PubChem CID 57125874) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is 2-(2-methylsulfanylethoxy)ethanamine.

Molecular Properties

Compound Name2-(2-methylsulfanylethoxy)ethanamine
PubChem CID57125874
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC Name2-(2-methylsulfanylethoxy)ethanamine
SMILESCSCCOCCN
InChIInChI=1S/C5H13NOS/c1-8-5-4-7-3-2-6/h2-6H2,1H3
InChIKeyBVASOOGTZDMJRI-UHFFFAOYSA-N
XLogP0.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 50.32
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-methylsulfanylethoxy)ethanamine?
The IUPAC name of 2-(2-methylsulfanylethoxy)ethanamine (CID 57125874) is 2-(2-methylsulfanylethoxy)ethanamine.
What is the SMILES notation for 2-(2-methylsulfanylethoxy)ethanamine?
The canonical SMILES for 2-(2-methylsulfanylethoxy)ethanamine is CSCCOCCN.
What is the InChIKey of 2-(2-methylsulfanylethoxy)ethanamine?
The InChIKey is BVASOOGTZDMJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOS/c1-8-5-4-7-3-2-6/h2-6H2,1H3.
What are the key properties of 2-(2-methylsulfanylethoxy)ethanamine?
2-(2-methylsulfanylethoxy)ethanamine has a molecular weight of 135.23 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylethoxy)ethanamine is sourced from PubChem (CID 57125874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).