3-[4-(hydroxymethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid

C11H15NO5S2 — CID 43329031

IUPAC3-[4-(hydroxymethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)N1CCC(CO)CC1
InChIInChI=1S/C11H15NO5S2/c13-7-8-1-4-12(5-2-8)19(16,17)9-3-6-18-10(9)11(14)15/h3,6,8,13H,1-2,4-5,7H2,(H,14,15)
InChIKeyOKDMAASSNQVVPZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.84
Rot. Bonds4

About 3-[4-(hydroxymethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid

3-[4-(hydroxymethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid (PubChem CID 43329031) has the molecular formula C11H15NO5S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
PubChem CID43329031
Molecular FormulaC11H15NO5S2
Molecular Weight305.38 g/mol
Exact Mass305.04
IUPAC Name3-[4-(hydroxymethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)N1CCC(CO)CC1
InChIInChI=1S/C11H15NO5S2/c13-7-8-1-4-12(5-2-8)19(16,17)9-3-6-18-10(9)11(14)15/h3,6,8,13H,1-2,4-5,7H2,(H,14,15)
InChIKeyOKDMAASSNQVVPZ-UHFFFAOYSA-N
XLogP0.84
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[4-(hydroxymethyl)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-(Thiomorpholine-4-sulfonyl)thiophene-2-carboxylic acid
CID 43146630
3-{[2-(2-Hydroxyethyl)piperidin-1-yl]sulfonyl}thiophene-2-carboxylic acid
CID 43329029
1-[(2-Carboxy-3-thienyl)sulfonyl]-3-propylpiperidine-3-carboxylic acid
CID 70765210
4-(Pyrrolidin-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 706587
4-(Piperidin-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 8033933
3-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 17519122
Methyl 3-[3-(trifluoromethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate
CID 17520765
3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 25607989
3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 25607994

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid?
The IUPAC name of 3-[4-(hydroxymethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid (CID 43329031) is 3-[4-(hydroxymethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[4-(hydroxymethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[4-(hydroxymethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid is O=C(O)c1sccc1S(=O)(=O)N1CCC(CO)CC1.
What is the InChIKey of 3-[4-(hydroxymethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid?
The InChIKey is OKDMAASSNQVVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S2/c13-7-8-1-4-12(5-2-8)19(16,17)9-3-6-18-10(9)11(14)15/h3,6,8,13H,1-2,4-5,7H2,(H,14,15).
What are the key properties of 3-[4-(hydroxymethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid?
3-[4-(hydroxymethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid is sourced from PubChem (CID 43329031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).