2-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine

C11H13NS2 — CID 7130982

IUPAC2-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
SMILESc1csc(CCNCc2cccs2)c1
InChIInChI=1S/C11H13NS2/c1-3-10(13-7-1)5-6-12-9-11-4-2-8-14-11/h1-4,7-8,12H,5-6,9H2
InChIKeyHYBVQPGCTVABLD-UHFFFAOYSA-N
MW223.37 g/mol
LogP3.14
Rot. Bonds5

About 2-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine

2-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 7130982) has the molecular formula C11H13NS2 and a molecular weight of 223.37 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID7130982
Molecular FormulaC11H13NS2
Molecular Weight223.37 g/mol
Exact Mass223.05
IUPAC Name2-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
SMILESc1csc(CCNCc2cccs2)c1
InChIInChI=1S/C11H13NS2/c1-3-10(13-7-1)5-6-12-9-11-4-2-8-14-11/h1-4,7-8,12H,5-6,9H2
InChIKeyHYBVQPGCTVABLD-UHFFFAOYSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.37
LogP ≤ 53.14
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-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine (CID 7130982) is 2-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine is c1csc(CCNCc2cccs2)c1.
What is the InChIKey of 2-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is HYBVQPGCTVABLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS2/c1-3-10(13-7-1)5-6-12-9-11-4-2-8-14-11/h1-4,7-8,12H,5-6,9H2.
What are the key properties of 2-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine?
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 223.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 7130982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).