4-(3-aminopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid

C10H14N2O4S2 — CID 55248008

IUPAC4-(3-aminopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
SMILESNC1CCCN(S(=O)(=O)c2csc(C(=O)O)c2)C1
InChIInChI=1S/C10H14N2O4S2/c11-7-2-1-3-12(5-7)18(15,16)8-4-9(10(13)14)17-6-8/h4,6-7H,1-3,5,11H2,(H,13,14)
InChIKeyCAJVRTOSSBKXKQ-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.56
Rot. Bonds3

About 4-(3-aminopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid

4-(3-aminopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid (PubChem CID 55248008) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-(3-aminopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-aminopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
PubChem CID55248008
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC Name4-(3-aminopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
SMILESNC1CCCN(S(=O)(=O)c2csc(C(=O)O)c2)C1
InChIInChI=1S/C10H14N2O4S2/c11-7-2-1-3-12(5-7)18(15,16)8-4-9(10(13)14)17-6-8/h4,6-7H,1-3,5,11H2,(H,13,14)
InChIKeyCAJVRTOSSBKXKQ-UHFFFAOYSA-N
XLogP0.56
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-acetamidopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 61068084
4-(3-methoxypyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 103531351
4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61068404
4-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 61066624
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 65319219
4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61063212
4-(3-aminopiperidin-1-yl)sulfonyl-2-chlorobenzoic acid
CID 107090004
4-(2,6-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 63616973
methyl 4-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride
CID 119971268
methyl 4-piperidin-1-ylsulfonylthiophene-2-carboxylate
CID 27245285
4-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)thiophene-2-carboxylic acid
CID 55151488
4-(3-aminopyrrolidin-1-yl)sulfonyl-5-bromothiophene-2-carboxylic acid
CID 55029547

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid?
The IUPAC name of 4-(3-aminopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid (CID 55248008) is 4-(3-aminopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-(3-aminopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid?
The canonical SMILES for 4-(3-aminopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid is NC1CCCN(S(=O)(=O)c2csc(C(=O)O)c2)C1.
What is the InChIKey of 4-(3-aminopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid?
The InChIKey is CAJVRTOSSBKXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c11-7-2-1-3-12(5-7)18(15,16)8-4-9(10(13)14)17-6-8/h4,6-7H,1-3,5,11H2,(H,13,14).
What are the key properties of 4-(3-aminopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid?
4-(3-aminopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid has a molecular weight of 290.37 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid is sourced from PubChem (CID 55248008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).