3-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylpropan-1-one

C10H15NO2S — CID 46231876

IUPAC3-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylpropan-1-one
SMILESCN(CCO)CCC(=O)c1cccs1
InChIInChI=1S/C10H15NO2S/c1-11(6-7-12)5-4-9(13)10-3-2-8-14-10/h2-3,8,12H,4-7H2,1H3
InChIKeyTUVICZPPRXBBDS-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.25
Rot. Bonds6

About 3-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylpropan-1-one

3-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylpropan-1-one (PubChem CID 46231876) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylpropan-1-one
PubChem CID46231876
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name3-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylpropan-1-one
SMILESCN(CCO)CCC(=O)c1cccs1
InChIInChI=1S/C10H15NO2S/c1-11(6-7-12)5-4-9(13)10-3-2-8-14-10/h2-3,8,12H,4-7H2,1H3
InChIKeyTUVICZPPRXBBDS-UHFFFAOYSA-N
XLogP1.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylpropan-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

Related Compounds

1-Propanone, 3-(1-pyrrolidinyl)-1-(2-thienyl)-
CID 224019
3-(Dimethylamino)-1-(2-thienyl)-1-propanone
CID 408257
3-(Dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride
CID 2876891
[1-(2-Hydroxyethyl)-3-piperidinyl](3-methyl-2-thienyl)methanone
CID 16190344
3-[2-Hydroxyethyl(propan-2-yl)amino]-1-thiophen-2-ylpropan-1-one
CID 46231872
3-[Bis(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one
CID 46231874
3-[Tert-butyl(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one
CID 46231875
1-(5-Bromothiophen-2-yl)-3-[butyl(2-hydroxyethyl)amino]propan-1-one
CID 46231947
1-(5-Chlorothiophen-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one
CID 46232018
3-[Bis(2-hydroxyethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 46232019
1-Butanone, 4-((2-hydroxyethyl)amino)-1-(2-thienyl)-
CID 3072334
1-Butanone, 4-((2-hydroxyethyl)methylamino)-1-(2-thienyl)-
CID 3072336

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylpropan-1-one (CID 46231876) is 3-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylpropan-1-one is CN(CCO)CCC(=O)c1cccs1.
What is the InChIKey of 3-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylpropan-1-one?
The InChIKey is TUVICZPPRXBBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-11(6-7-12)5-4-9(13)10-3-2-8-14-10/h2-3,8,12H,4-7H2,1H3.
What are the key properties of 3-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylpropan-1-one?
3-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylpropan-1-one has a molecular weight of 213.30 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(methyl)amino]-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 46231876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).