3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid

C12H17NO5S2 — CID 43329029

IUPAC3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)N1CCCCC1CCO
InChIInChI=1S/C12H17NO5S2/c14-7-4-9-3-1-2-6-13(9)20(17,18)10-5-8-19-11(10)12(15)16/h5,8-9,14H,1-4,6-7H2,(H,15,16)
InChIKeyFGOCPFKNBYZDTF-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.37
Rot. Bonds5

About 3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid

3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid (PubChem CID 43329029) has the molecular formula C12H17NO5S2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
PubChem CID43329029
Molecular FormulaC12H17NO5S2
Molecular Weight319.40 g/mol
Exact Mass319.05
IUPAC Name3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)N1CCCCC1CCO
InChIInChI=1S/C12H17NO5S2/c14-7-4-9-3-1-2-6-13(9)20(17,18)10-5-8-19-11(10)12(15)16/h5,8-9,14H,1-4,6-7H2,(H,15,16)
InChIKeyFGOCPFKNBYZDTF-UHFFFAOYSA-N
XLogP1.37
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid 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

3-(Morpholin-4-ylsulfonyl)thiophene-2-carboxylic acid
CID 9361763
5-(Piperidin-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 1509012
3-(Piperidin-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 16227157
3-(Cycloheptylsulfamoyl)thiophene-2-carboxylic acid
CID 17221131
3-(Thiomorpholine-4-sulfonyl)thiophene-2-carboxylic acid
CID 43146630
3-{[4-(Hydroxymethyl)piperidin-1-yl]sulfonyl}thiophene-2-carboxylic acid
CID 43329031
1-[(2-Carboxy-3-thienyl)sulfonyl]-3-propylpiperidine-3-carboxylic acid
CID 70765210
Methyl 3-(3-oxa-9-azabicyclo[3.3.1]nonan-9-ylsulfonyl)thiophene-2-carboxylate
CID 71795902
3-{[(3R*,4S*)-3-(2-carboxyethyl)-4-(dimethylamino)piperidin-1-yl]sulfonyl}thiophene-2-carboxylic acid
CID 72925674
4-(Piperidin-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 8033933
3-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 17519122
3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 25607989

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid?
The IUPAC name of 3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid (CID 43329029) is 3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid is O=C(O)c1sccc1S(=O)(=O)N1CCCCC1CCO.
What is the InChIKey of 3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid?
The InChIKey is FGOCPFKNBYZDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S2/c14-7-4-9-3-1-2-6-13(9)20(17,18)10-5-8-19-11(10)12(15)16/h5,8-9,14H,1-4,6-7H2,(H,15,16).
What are the key properties of 3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid?
3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid has a molecular weight of 319.40 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid is sourced from PubChem (CID 43329029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).