4-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one

C11H17NO2S — CID 3072336

IUPAC4-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one
SMILESCN(CCO)CCCC(=O)c1cccs1
InChIInChI=1S/C11H17NO2S/c1-12(7-8-13)6-2-4-10(14)11-5-3-9-15-11/h3,5,9,13H,2,4,6-8H2,1H3
InChIKeyPZOZYCKECVFWJM-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.64
Rot. Bonds7

About 4-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one

4-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one (PubChem CID 3072336) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one
PubChem CID3072336
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name4-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one
SMILESCN(CCO)CCCC(=O)c1cccs1
InChIInChI=1S/C11H17NO2S/c1-12(7-8-13)6-2-4-10(14)11-5-3-9-15-11/h3,5,9,13H,2,4,6-8H2,1H3
InChIKeyPZOZYCKECVFWJM-UHFFFAOYSA-N
XLogP1.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one 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 4-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one (CID 3072336) is 4-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one is CN(CCO)CCCC(=O)c1cccs1.
What is the InChIKey of 4-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one?
The InChIKey is PZOZYCKECVFWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-12(7-8-13)6-2-4-10(14)11-5-3-9-15-11/h3,5,9,13H,2,4,6-8H2,1H3.
What are the key properties of 4-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one?
4-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one has a molecular weight of 227.33 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 3072336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).