2-(dimethylamino)-1-thiophen-2-ylethanone

C8H11NOS — CID 14650096

IUPAC2-(dimethylamino)-1-thiophen-2-ylethanone
SMILESCN(C)CC(=O)c1cccs1
InChIInChI=1S/C8H11NOS/c1-9(2)6-7(10)8-4-3-5-11-8/h3-5H,6H2,1-2H3
InChIKeyPSBUTSIVLRLIRT-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.49
Rot. Bonds3

About 2-(dimethylamino)-1-thiophen-2-ylethanone

2-(dimethylamino)-1-thiophen-2-ylethanone (PubChem CID 14650096) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-(dimethylamino)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-thiophen-2-ylethanone
PubChem CID14650096
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name2-(dimethylamino)-1-thiophen-2-ylethanone
SMILESCN(C)CC(=O)c1cccs1
InChIInChI=1S/C8H11NOS/c1-9(2)6-7(10)8-4-3-5-11-8/h3-5H,6H2,1-2H3
InChIKeyPSBUTSIVLRLIRT-UHFFFAOYSA-N
XLogP1.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(dimethylamino)-1-thiophen-2-ylethanone 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 2-(dimethylamino)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(dimethylamino)-1-thiophen-2-ylethanone (CID 14650096) is 2-(dimethylamino)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(dimethylamino)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(dimethylamino)-1-thiophen-2-ylethanone is CN(C)CC(=O)c1cccs1.
What is the InChIKey of 2-(dimethylamino)-1-thiophen-2-ylethanone?
The InChIKey is PSBUTSIVLRLIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-9(2)6-7(10)8-4-3-5-11-8/h3-5H,6H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-thiophen-2-ylethanone?
2-(dimethylamino)-1-thiophen-2-ylethanone has a molecular weight of 169.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-thiophen-2-ylethanone is sourced from PubChem (CID 14650096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).