1-[2-(thiophen-3-ylmethylamino)ethyl]pyridin-2-one

C12H14N2OS — CID 78977821

IUPAC1-[2-(thiophen-3-ylmethylamino)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNCc1ccsc1
InChIInChI=1S/C12H14N2OS/c15-12-3-1-2-6-14(12)7-5-13-9-11-4-8-16-10-11/h1-4,6,8,10,13H,5,7,9H2
InChIKeySJUKTXJVZQNJKJ-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.70
Rot. Bonds5

About 1-[2-(thiophen-3-ylmethylamino)ethyl]pyridin-2-one

1-[2-(thiophen-3-ylmethylamino)ethyl]pyridin-2-one (PubChem CID 78977821) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-[2-(thiophen-3-ylmethylamino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(thiophen-3-ylmethylamino)ethyl]pyridin-2-one
PubChem CID78977821
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-[2-(thiophen-3-ylmethylamino)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNCc1ccsc1
InChIInChI=1S/C12H14N2OS/c15-12-3-1-2-6-14(12)7-5-13-9-11-4-8-16-10-11/h1-4,6,8,10,13H,5,7,9H2
InChIKeySJUKTXJVZQNJKJ-UHFFFAOYSA-N
XLogP1.70
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.70
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 1-[2-(thiophen-3-ylmethylamino)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(thiophen-3-ylmethylamino)ethyl]pyridin-2-one (CID 78977821) is 1-[2-(thiophen-3-ylmethylamino)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(thiophen-3-ylmethylamino)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(thiophen-3-ylmethylamino)ethyl]pyridin-2-one is O=c1ccccn1CCNCc1ccsc1.
What is the InChIKey of 1-[2-(thiophen-3-ylmethylamino)ethyl]pyridin-2-one?
The InChIKey is SJUKTXJVZQNJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c15-12-3-1-2-6-14(12)7-5-13-9-11-4-8-16-10-11/h1-4,6,8,10,13H,5,7,9H2.
What are the key properties of 1-[2-(thiophen-3-ylmethylamino)ethyl]pyridin-2-one?
1-[2-(thiophen-3-ylmethylamino)ethyl]pyridin-2-one has a molecular weight of 234.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thiophen-3-ylmethylamino)ethyl]pyridin-2-one is sourced from PubChem (CID 78977821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).