1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid

C11H14N2O4S — CID 24708710

IUPAC1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1S(=O)(=O)c1cccnc1
InChIInChI=1S/C11H14N2O4S/c14-11(15)10-5-1-2-7-13(10)18(16,17)9-4-3-6-12-8-9/h3-4,6,8,10H,1-2,5,7H2,(H,14,15)
InChIKeyCGRJJDKNMJVXPK-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.71
Rot. Bonds3

About 1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid

1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid (PubChem CID 24708710) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid
PubChem CID24708710
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1S(=O)(=O)c1cccnc1
InChIInChI=1S/C11H14N2O4S/c14-11(15)10-5-1-2-7-13(10)18(16,17)9-4-3-6-12-8-9/h3-4,6,8,10H,1-2,5,7H2,(H,14,15)
InChIKeyCGRJJDKNMJVXPK-UHFFFAOYSA-N
XLogP0.71
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate
CID 49454499
5-oxo-1-pyridin-3-ylsulfonylpiperazine-2-carboxylic acid
CID 107435224
3-methyl-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxylic acid
CID 104937269
1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 23381612
6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxylic acid
CID 122083302
1-(1-pyridin-3-ylsulfonylpiperidin-2-yl)propan-2-ol
CID 79538362
[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 7221204
1-[methyl(pyridin-3-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857794
(2S)-1-(3,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 66263682
1-(3-ethoxyphenyl)sulfonylpiperidine-2-carboxylic acid
CID 120728800
1-(3,4-difluorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 43235907
(2R)-1-(1H-imidazol-5-ylsulfonyl)piperidine-2-carboxylic acid
CID 79034784

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid?
The IUPAC name of 1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid (CID 24708710) is 1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid is O=C(O)C1CCCCN1S(=O)(=O)c1cccnc1.
What is the InChIKey of 1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid?
The InChIKey is CGRJJDKNMJVXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c14-11(15)10-5-1-2-7-13(10)18(16,17)9-4-3-6-12-8-9/h3-4,6,8,10H,1-2,5,7H2,(H,14,15).
What are the key properties of 1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid?
1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 24708710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).