1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone

C11H15NO2S — CID 71649381

IUPAC1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC[C@H](O)C1
InChIInChI=1S/C11H15NO2S/c13-10-2-1-4-12(7-10)11(14)6-9-3-5-15-8-9/h3,5,8,10,13H,1-2,4,6-7H2/t10-/m0/s1
InChIKeyYUIAHIVECVNOAT-JTQLQIEISA-N
MW225.31 g/mol
LogP1.27
Rot. Bonds2

About 1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone

1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 71649381) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID71649381
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC[C@H](O)C1
InChIInChI=1S/C11H15NO2S/c13-10-2-1-4-12(7-10)11(14)6-9-3-5-15-8-9/h3,5,8,10,13H,1-2,4,6-7H2/t10-/m0/s1
InChIKeyYUIAHIVECVNOAT-JTQLQIEISA-N
XLogP1.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone 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

(3R)-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide
CID 94164984
1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 29181741
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
1-[3-(methylaminomethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 61205444
N'-hydroxy-1-(2-thiophen-3-ylacetyl)piperidine-3-carboximidamide
CID 77041855
1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 94407469
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 62349580
1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 93040634
1-[3-(4-chlorophenyl)azepan-1-yl]-2-thiophen-3-ylethanone
CID 121146683
1-[3-(3-methoxypropyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 70788695
1-[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 91792162
1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]-2-thiophen-3-ylethanone
CID 162636606

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone (CID 71649381) is 1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCC[C@H](O)C1.
What is the InChIKey of 1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is YUIAHIVECVNOAT-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO2S/c13-10-2-1-4-12(7-10)11(14)6-9-3-5-15-8-9/h3,5,8,10,13H,1-2,4,6-7H2/t10-/m0/s1.
What are the key properties of 1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone?
1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 225.31 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 71649381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).