1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid

C11H14N2O4S — CID 3243078

IUPAC1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C11H14N2O4S/c14-11(15)9-3-6-13(7-4-9)18(16,17)10-2-1-5-12-8-10/h1-2,5,8-9H,3-4,6-7H2,(H,14,15)
InChIKeyRBKAABCGXZKFCH-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.57
Rot. Bonds3

About 1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid

1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid (PubChem CID 3243078) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid
PubChem CID3243078
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C11H14N2O4S/c14-11(15)9-3-6-13(7-4-9)18(16,17)10-2-1-5-12-8-10/h1-2,5,8-9H,3-4,6-7H2,(H,14,15)
InChIKeyRBKAABCGXZKFCH-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-pyridin-3-ylsulfonylpiperidine-4-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

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid (CID 3243078) is 1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of 1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid?
The InChIKey is RBKAABCGXZKFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c14-11(15)9-3-6-13(7-4-9)18(16,17)10-2-1-5-12-8-10/h1-2,5,8-9H,3-4,6-7H2,(H,14,15).
What are the key properties of 1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid?
1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 0.57, 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-4-carboxylic acid is sourced from PubChem (CID 3243078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).