4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid

C12H16N2O5S2 — CID 61068404

IUPAC4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
SMILESNC(=O)CC1CCN(S(=O)(=O)c2csc(C(=O)O)c2)CC1
InChIInChI=1S/C12H16N2O5S2/c13-11(15)5-8-1-3-14(4-2-8)21(18,19)9-6-10(12(16)17)20-7-9/h6-8H,1-5H2,(H2,13,15)(H,16,17)
InChIKeyQICRXWNTEUNYKG-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.72
Rot. Bonds5

About 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid

4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid (PubChem CID 61068404) has the molecular formula C12H16N2O5S2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
PubChem CID61068404
Molecular FormulaC12H16N2O5S2
Molecular Weight332.40 g/mol
Exact Mass332.05
IUPAC Name4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
SMILESNC(=O)CC1CCN(S(=O)(=O)c2csc(C(=O)O)c2)CC1
InChIInChI=1S/C12H16N2O5S2/c13-11(15)5-8-1-3-14(4-2-8)21(18,19)9-6-10(12(16)17)20-7-9/h6-8H,1-5H2,(H2,13,15)(H,16,17)
InChIKeyQICRXWNTEUNYKG-UHFFFAOYSA-N
XLogP0.72
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61063212
5-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 60952057
4-(3-aminopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 55248008
4-(3-methoxypyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 103531351
4-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 6486031
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 65319219
4-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 61066624
2-[1-(3-ethoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 166179095
4-(2,6-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 63616973
4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide
CID 6503399
4-(3-acetamidopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 61068084
2-[1-[(6-cyano-3-pyridinyl)sulfonyl]piperidin-4-yl]acetamide
CID 115602654

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid?
The IUPAC name of 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid (CID 61068404) is 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid is NC(=O)CC1CCN(S(=O)(=O)c2csc(C(=O)O)c2)CC1.
What is the InChIKey of 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid?
The InChIKey is QICRXWNTEUNYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S2/c13-11(15)5-8-1-3-14(4-2-8)21(18,19)9-6-10(12(16)17)20-7-9/h6-8H,1-5H2,(H2,13,15)(H,16,17).
What are the key properties of 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid?
4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid is sourced from PubChem (CID 61068404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).