2-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine

C10H17NOS2 — CID 62577525

IUPAC2-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine
SMILESCCOCCNCCSc1cccs1
InChIInChI=1S/C10H17NOS2/c1-2-12-7-5-11-6-9-14-10-4-3-8-13-10/h3-4,8,11H,2,5-7,9H2,1H3
InChIKeyRXVLLHCJYOJWMY-UHFFFAOYSA-N
MW231.39 g/mol
LogP2.47
Rot. Bonds8

About 2-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine

2-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine (PubChem CID 62577525) has the molecular formula C10H17NOS2 and a molecular weight of 231.39 g/mol. Its IUPAC name is 2-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine
PubChem CID62577525
Molecular FormulaC10H17NOS2
Molecular Weight231.39 g/mol
Exact Mass231.08
IUPAC Name2-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine
SMILESCCOCCNCCSc1cccs1
InChIInChI=1S/C10H17NOS2/c1-2-12-7-5-11-6-9-14-10-4-3-8-13-10/h3-4,8,11H,2,5-7,9H2,1H3
InChIKeyRXVLLHCJYOJWMY-UHFFFAOYSA-N
XLogP2.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine?
The IUPAC name of 2-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine (CID 62577525) is 2-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine.
What is the SMILES notation for 2-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine?
The canonical SMILES for 2-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine is CCOCCNCCSc1cccs1.
What is the InChIKey of 2-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine?
The InChIKey is RXVLLHCJYOJWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS2/c1-2-12-7-5-11-6-9-14-10-4-3-8-13-10/h3-4,8,11H,2,5-7,9H2,1H3.
What are the key properties of 2-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine?
2-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine has a molecular weight of 231.39 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine is sourced from PubChem (CID 62577525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).