5-(3-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid

C12H17NO4S2 — CID 54907136

IUPAC5-(3-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
SMILESCCC1CCCN(S(=O)(=O)c2ccc(C(=O)O)s2)C1
InChIInChI=1S/C12H17NO4S2/c1-2-9-4-3-7-13(8-9)19(16,17)11-6-5-10(18-11)12(14)15/h5-6,9H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyOOMQKDWWFUMIRL-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.26
Rot. Bonds4

About 5-(3-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid

5-(3-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid (PubChem CID 54907136) has the molecular formula C12H17NO4S2 and a molecular weight of 303.40 g/mol. Its IUPAC name is 5-(3-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
PubChem CID54907136
Molecular FormulaC12H17NO4S2
Molecular Weight303.40 g/mol
Exact Mass303.06
IUPAC Name5-(3-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
SMILESCCC1CCCN(S(=O)(=O)c2ccc(C(=O)O)s2)C1
InChIInChI=1S/C12H17NO4S2/c1-2-9-4-3-7-13(8-9)19(16,17)11-6-5-10(18-11)12(14)15/h5-6,9H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyOOMQKDWWFUMIRL-UHFFFAOYSA-N
XLogP2.26
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-ethylpiperidin-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

5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid
CID 61027232
5-(3-ethylpiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 43430408
5-[(3R)-3-methoxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 167188471
5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 54907417
5-(2-methylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
CID 54907275
1-(5-ethylthiophen-2-yl)sulfonyl-3-(methoxymethyl)piperidine
CID 121092333
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]thiophene-2-carboxylic acid
CID 102725638
5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 54907129
methyl 1-(5-carbamothioylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 106271625
5-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61027124
5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61028177
5-(4-butan-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 62773271

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid?
The IUPAC name of 5-(3-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid (CID 54907136) is 5-(3-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(3-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(3-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid is CCC1CCCN(S(=O)(=O)c2ccc(C(=O)O)s2)C1.
What is the InChIKey of 5-(3-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid?
The InChIKey is OOMQKDWWFUMIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S2/c1-2-9-4-3-7-13(8-9)19(16,17)11-6-5-10(18-11)12(14)15/h5-6,9H,2-4,7-8H2,1H3,(H,14,15).
What are the key properties of 5-(3-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid?
5-(3-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid has a molecular weight of 303.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid is sourced from PubChem (CID 54907136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).