1-(1-methylsulfanylethoxy)ethanamine

C5H13NOS — CID 22450284

IUPAC1-(1-methylsulfanylethoxy)ethanamine
SMILESCSC(C)OC(C)N
InChIInChI=1S/C5H13NOS/c1-4(6)7-5(2)8-3/h4-5H,6H2,1-3H3
InChIKeyAIUFKZUFIZCSPK-UHFFFAOYSA-N
MW135.23 g/mol
LogP1.02
Rot. Bonds3

About 1-(1-methylsulfanylethoxy)ethanamine

1-(1-methylsulfanylethoxy)ethanamine (PubChem CID 22450284) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is 1-(1-methylsulfanylethoxy)ethanamine.

Molecular Properties

Compound Name1-(1-methylsulfanylethoxy)ethanamine
PubChem CID22450284
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC Name1-(1-methylsulfanylethoxy)ethanamine
SMILESCSC(C)OC(C)N
InChIInChI=1S/C5H13NOS/c1-4(6)7-5(2)8-3/h4-5H,6H2,1-3H3
InChIKeyAIUFKZUFIZCSPK-UHFFFAOYSA-N
XLogP1.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(1-methylsulfanylethoxy)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 1-(1-methylsulfanylethoxy)ethanamine?
The IUPAC name of 1-(1-methylsulfanylethoxy)ethanamine (CID 22450284) is 1-(1-methylsulfanylethoxy)ethanamine.
What is the SMILES notation for 1-(1-methylsulfanylethoxy)ethanamine?
The canonical SMILES for 1-(1-methylsulfanylethoxy)ethanamine is CSC(C)OC(C)N.
What is the InChIKey of 1-(1-methylsulfanylethoxy)ethanamine?
The InChIKey is AIUFKZUFIZCSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOS/c1-4(6)7-5(2)8-3/h4-5H,6H2,1-3H3.
What are the key properties of 1-(1-methylsulfanylethoxy)ethanamine?
1-(1-methylsulfanylethoxy)ethanamine has a molecular weight of 135.23 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfanylethoxy)ethanamine is sourced from PubChem (CID 22450284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).