(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxy-1-thiophen-2-ylethanone

C14H15NO2S — CID 672167

IUPAC(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxy-1-thiophen-2-ylethanone
SMILESCN(C)c1ccc([C@H](O)C(=O)c2cccs2)cc1
InChIInChI=1S/C14H15NO2S/c1-15(2)11-7-5-10(6-8-11)13(16)14(17)12-4-3-9-18-12/h3-9,13,16H,1-2H3/t13-/m0/s1
InChIKeyUGEGUMLCTVHGOU-ZDUSSCGKSA-N
MW261.35 g/mol
LogP2.73
Rot. Bonds4

About (2S)-2-[4-(dimethylamino)phenyl]-2-hydroxy-1-thiophen-2-ylethanone

(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxy-1-thiophen-2-ylethanone (PubChem CID 672167) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is (2S)-2-[4-(dimethylamino)phenyl]-2-hydroxy-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxy-1-thiophen-2-ylethanone
PubChem CID672167
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxy-1-thiophen-2-ylethanone
SMILESCN(C)c1ccc([C@H](O)C(=O)c2cccs2)cc1
InChIInChI=1S/C14H15NO2S/c1-15(2)11-7-5-10(6-8-11)13(16)14(17)12-4-3-9-18-12/h3-9,13,16H,1-2H3/t13-/m0/s1
InChIKeyUGEGUMLCTVHGOU-ZDUSSCGKSA-N
XLogP2.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-hydroxy-1,2-dithiophen-2-ylethanone
CID 725360
(R)-[4-(dimethylamino)phenyl]-thiophen-2-ylmethanol
CID 686964
N-methyl-N-(1-oxo-1-thiophen-2-ylpropan-2-yl)acetamide
CID 165362140
2-[4-(dimethylamino)phenyl]-2-hydroxy-1-(4-methoxyphenyl)ethanone
CID 23319775
2,4-bis[4-(dimethylamino)phenyl]-1,1,5,5-tetrahydroxypentan-3-one
CID 174873775
2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-thiophen-2-ylethanone
CID 3132391
2-(2-fluorophenyl)-2-hydroxy-1-thiophen-2-ylethanone
CID 20528312
N-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 773960
[4-(1,1-dihydroxypropan-2-yl)phenyl]-thiophen-2-ylmethanone
CID 70586978
[4-[4-(dimethylamino)benzenecarbothioyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 42588743
(2S)-2-(methylamino)-1-thiophen-2-ylpropan-1-one
CID 93492517
2-chloro-2-(4-fluorophenyl)-1-thiophen-2-ylethanone
CID 81242371

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(dimethylamino)phenyl]-2-hydroxy-1-thiophen-2-ylethanone?
The IUPAC name of (2S)-2-[4-(dimethylamino)phenyl]-2-hydroxy-1-thiophen-2-ylethanone (CID 672167) is (2S)-2-[4-(dimethylamino)phenyl]-2-hydroxy-1-thiophen-2-ylethanone.
What is the SMILES notation for (2S)-2-[4-(dimethylamino)phenyl]-2-hydroxy-1-thiophen-2-ylethanone?
The canonical SMILES for (2S)-2-[4-(dimethylamino)phenyl]-2-hydroxy-1-thiophen-2-ylethanone is CN(C)c1ccc([C@H](O)C(=O)c2cccs2)cc1.
What is the InChIKey of (2S)-2-[4-(dimethylamino)phenyl]-2-hydroxy-1-thiophen-2-ylethanone?
The InChIKey is UGEGUMLCTVHGOU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-15(2)11-7-5-10(6-8-11)13(16)14(17)12-4-3-9-18-12/h3-9,13,16H,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-2-[4-(dimethylamino)phenyl]-2-hydroxy-1-thiophen-2-ylethanone?
(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxy-1-thiophen-2-ylethanone has a molecular weight of 261.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(dimethylamino)phenyl]-2-hydroxy-1-thiophen-2-ylethanone is sourced from PubChem (CID 672167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).