3-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid

C13H19NO4S2 — CID 83053033

IUPAC3-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
SMILESCCCC1CCCCN1S(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C13H19NO4S2/c1-2-5-10-6-3-4-8-14(10)20(17,18)11-7-9-19-12(11)13(15)16/h7,9-10H,2-6,8H2,1H3,(H,15,16)
InChIKeyJWDSOSHFKGXCLZ-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.79
Rot. Bonds5

About 3-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid

3-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid (PubChem CID 83053033) has the molecular formula C13H19NO4S2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
PubChem CID83053033
Molecular FormulaC13H19NO4S2
Molecular Weight317.43 g/mol
Exact Mass317.08
IUPAC Name3-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
SMILESCCCC1CCCCN1S(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C13H19NO4S2/c1-2-5-10-6-3-4-8-14(10)20(17,18)11-7-9-19-12(11)13(15)16/h7,9-10H,2-6,8H2,1H3,(H,15,16)
InChIKeyJWDSOSHFKGXCLZ-UHFFFAOYSA-N
XLogP2.79
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-propylpiperidin-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

methyl 3-[2-(hydroxymethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate
CID 43574438
5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 83053526
1-(2-fluorophenyl)sulfonyl-2-propylpiperidine
CID 83052559
3-(4-propan-2-ylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 103494323
N-methyl-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83062064
methyl 3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride
CID 120584596
[4-(2-propylpiperidin-1-yl)sulfonylphenyl]methanol
CID 83057310
(3-aminothiophen-2-yl)-(2-propylpiperidin-1-yl)methanone
CID 83052263
[2-fluoro-6-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 83052838
5-methoxy-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83052764
4-fluoro-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83052783
2-(2-bromoethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine
CID 80670503

Frequently Asked Questions

What is the IUPAC name of 3-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid?
The IUPAC name of 3-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid (CID 83053033) is 3-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid?
The canonical SMILES for 3-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid is CCCC1CCCCN1S(=O)(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid?
The InChIKey is JWDSOSHFKGXCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S2/c1-2-5-10-6-3-4-8-14(10)20(17,18)11-7-9-19-12(11)13(15)16/h7,9-10H,2-6,8H2,1H3,(H,15,16).
What are the key properties of 3-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid?
3-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid has a molecular weight of 317.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid is sourced from PubChem (CID 83053033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).