5-[4-(pyridine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid

C15H15N3O5S2 — CID 119146278

IUPAC5-[4-(pyridine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)N2CCN(C(=O)c3ccncc3)CC2)c1
InChIInChI=1S/C15H15N3O5S2/c19-14(11-1-3-16-4-2-11)17-5-7-18(8-6-17)25(22,23)13-9-12(10-24-13)15(20)21/h1-4,9-10H,5-8H2,(H,20,21)
InChIKeyVZLLUZBEYCHHMA-UHFFFAOYSA-N
MW381.44 g/mol
LogP0.99
Rot. Bonds4

About 5-[4-(pyridine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid

5-[4-(pyridine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid (PubChem CID 119146278) has the molecular formula C15H15N3O5S2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 5-[4-(pyridine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-(pyridine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid
PubChem CID119146278
Molecular FormulaC15H15N3O5S2
Molecular Weight381.44 g/mol
Exact Mass381.05
IUPAC Name5-[4-(pyridine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)N2CCN(C(=O)c3ccncc3)CC2)c1
InChIInChI=1S/C15H15N3O5S2/c19-14(11-1-3-16-4-2-11)17-5-7-18(8-6-17)25(22,23)13-9-12(10-24-13)15(20)21/h1-4,9-10H,5-8H2,(H,20,21)
InChIKeyVZLLUZBEYCHHMA-UHFFFAOYSA-N
XLogP0.99
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(3-fluorobenzoyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 45386918
[5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone
CID 50777756
5-[4-(2,3-dimethylbutanoyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 119221688
5-[4-(spiro[2.3]hexane-5-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 154742803
5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 29289552
piperidin-1-yl-[5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylthiophen-3-yl]methanone
CID 50777455
5-(8-azaspiro[4.5]decan-8-ylsulfonyl)thiophene-3-carboxylic acid
CID 63158586
5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 60681390
5-[4-(2-propoxyacetyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 119221671
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 26757131
morpholin-4-yl-(5-piperidin-1-ylsulfonylthiophen-3-yl)methanone
CID 50777436
5-(4-hydroxy-4-methylazepan-1-yl)sulfonylthiophene-3-carboxylic acid
CID 107404041

Frequently Asked Questions

What is the IUPAC name of 5-[4-(pyridine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid?
The IUPAC name of 5-[4-(pyridine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid (CID 119146278) is 5-[4-(pyridine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid.
What is the SMILES notation for 5-[4-(pyridine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid?
The canonical SMILES for 5-[4-(pyridine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid is O=C(O)c1csc(S(=O)(=O)N2CCN(C(=O)c3ccncc3)CC2)c1.
What is the InChIKey of 5-[4-(pyridine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid?
The InChIKey is VZLLUZBEYCHHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S2/c19-14(11-1-3-16-4-2-11)17-5-7-18(8-6-17)25(22,23)13-9-12(10-24-13)15(20)21/h1-4,9-10H,5-8H2,(H,20,21).
What are the key properties of 5-[4-(pyridine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid?
5-[4-(pyridine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid has a molecular weight of 381.44 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(pyridine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid is sourced from PubChem (CID 119146278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).