1-(4-hydroxypiperidin-1-yl)-2-thiophen-2-ylsulfanylethanone

C11H15NO2S2 — CID 43427796

IUPAC1-(4-hydroxypiperidin-1-yl)-2-thiophen-2-ylsulfanylethanone
SMILESO=C(CSc1cccs1)N1CCC(O)CC1
InChIInChI=1S/C11H15NO2S2/c13-9-3-5-12(6-4-9)10(14)8-16-11-2-1-7-15-11/h1-2,7,9,13H,3-6,8H2
InChIKeyBIGCOOLGBVAXOA-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.82
Rot. Bonds3

About 1-(4-hydroxypiperidin-1-yl)-2-thiophen-2-ylsulfanylethanone

1-(4-hydroxypiperidin-1-yl)-2-thiophen-2-ylsulfanylethanone (PubChem CID 43427796) has the molecular formula C11H15NO2S2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)-2-thiophen-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)-2-thiophen-2-ylsulfanylethanone
PubChem CID43427796
Molecular FormulaC11H15NO2S2
Molecular Weight257.38 g/mol
Exact Mass257.05
IUPAC Name1-(4-hydroxypiperidin-1-yl)-2-thiophen-2-ylsulfanylethanone
SMILESO=C(CSc1cccs1)N1CCC(O)CC1
InChIInChI=1S/C11H15NO2S2/c13-9-3-5-12(6-4-9)10(14)8-16-11-2-1-7-15-11/h1-2,7,9,13H,3-6,8H2
InChIKeyBIGCOOLGBVAXOA-UHFFFAOYSA-N
XLogP1.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-hydroxypiperidin-1-yl)-2-thiophen-2-ylsulfanylethanone 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

2-[1-(2-thiophen-2-ylsulfanylacetyl)piperidin-4-yl]acetic acid
CID 78980678
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-thiophen-2-ylsulfanylethanone
CID 112627208
1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-2-ylsulfanylethanone
CID 62372000
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylsulfanylethanone
CID 63308244
1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 43416005
4-ethyl-1-(2-thiophen-2-ylsulfanylacetyl)piperidine-4-carboxylic acid
CID 63125405
2-[1-(2-thiophen-2-ylsulfanylacetyl)azetidin-3-yl]propanoic acid
CID 116681177
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanylethanone
CID 30885271
2-methyl-1-(2-thiophen-2-ylsulfanylacetyl)pyrrolidine-3-carboxylic acid
CID 79364296
methyl 4-(2-thiophen-2-ylsulfanylacetyl)morpholine-2-carboxylate
CID 78926910
1-piperazin-1-yl-3-thiophen-2-ylsulfanylpropan-1-one
CID 62544572
1-thiophen-2-ylsulfanylpropan-2-one
CID 521033

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-thiophen-2-ylsulfanylethanone?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-thiophen-2-ylsulfanylethanone (CID 43427796) is 1-(4-hydroxypiperidin-1-yl)-2-thiophen-2-ylsulfanylethanone.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)-2-thiophen-2-ylsulfanylethanone?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)-2-thiophen-2-ylsulfanylethanone is O=C(CSc1cccs1)N1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)-2-thiophen-2-ylsulfanylethanone?
The InChIKey is BIGCOOLGBVAXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S2/c13-9-3-5-12(6-4-9)10(14)8-16-11-2-1-7-15-11/h1-2,7,9,13H,3-6,8H2.
What are the key properties of 1-(4-hydroxypiperidin-1-yl)-2-thiophen-2-ylsulfanylethanone?
1-(4-hydroxypiperidin-1-yl)-2-thiophen-2-ylsulfanylethanone has a molecular weight of 257.38 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)-2-thiophen-2-ylsulfanylethanone is sourced from PubChem (CID 43427796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).