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

C11H19NOS2 — CID 62579225

IUPAC3-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine
SMILESCCOCCCNCCSc1cccs1
InChIInChI=1S/C11H19NOS2/c1-2-13-8-4-6-12-7-10-15-11-5-3-9-14-11/h3,5,9,12H,2,4,6-8,10H2,1H3
InChIKeyCTFLFIRIARNKEK-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.86
Rot. Bonds9

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

3-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine (PubChem CID 62579225) has the molecular formula C11H19NOS2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 3-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine
PubChem CID62579225
Molecular FormulaC11H19NOS2
Molecular Weight245.41 g/mol
Exact Mass245.09
IUPAC Name3-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine
SMILESCCOCCCNCCSc1cccs1
InChIInChI=1S/C11H19NOS2/c1-2-13-8-4-6-12-7-10-15-11-5-3-9-14-11/h3,5,9,12H,2,4,6-8,10H2,1H3
InChIKeyCTFLFIRIARNKEK-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.86
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 3-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine?
The IUPAC name of 3-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine (CID 62579225) is 3-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine?
The canonical SMILES for 3-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine is CCOCCCNCCSc1cccs1.
What is the InChIKey of 3-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine?
The InChIKey is CTFLFIRIARNKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS2/c1-2-13-8-4-6-12-7-10-15-11-5-3-9-14-11/h3,5,9,12H,2,4,6-8,10H2,1H3.
What are the key properties of 3-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine?
3-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-thiophen-2-ylsulfanylethyl)propan-1-amine is sourced from PubChem (CID 62579225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).