3-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)propan-1-amine

C11H19N3OS — CID 63381262

IUPAC3-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)propan-1-amine
SMILESCCOCCCNCCSc1cnccn1
InChIInChI=1S/C11H19N3OS/c1-2-15-8-3-4-12-7-9-16-11-10-13-5-6-14-11/h5-6,10,12H,2-4,7-9H2,1H3
InChIKeyLSMZXEUOZYORPT-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.58
Rot. Bonds9

About 3-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)propan-1-amine

3-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)propan-1-amine (PubChem CID 63381262) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)propan-1-amine
PubChem CID63381262
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name3-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)propan-1-amine
SMILESCCOCCCNCCSc1cnccn1
InChIInChI=1S/C11H19N3OS/c1-2-15-8-3-4-12-7-9-16-11-10-13-5-6-14-11/h5-6,10,12H,2-4,7-9H2,1H3
InChIKeyLSMZXEUOZYORPT-UHFFFAOYSA-N
XLogP1.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)propan-1-amine 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 3-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)propan-1-amine?
The IUPAC name of 3-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)propan-1-amine (CID 63381262) is 3-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)propan-1-amine?
The canonical SMILES for 3-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)propan-1-amine is CCOCCCNCCSc1cnccn1.
What is the InChIKey of 3-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)propan-1-amine?
The InChIKey is LSMZXEUOZYORPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-2-15-8-3-4-12-7-9-16-11-10-13-5-6-14-11/h5-6,10,12H,2-4,7-9H2,1H3.
What are the key properties of 3-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)propan-1-amine?
3-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)propan-1-amine has a molecular weight of 241.36 g/mol, XLogP of 1.58, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)propan-1-amine is sourced from PubChem (CID 63381262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).