1-quinolin-8-ylsulfonylpiperidine-4-carboxylic acid

C15H16N2O4S — CID 694373

IUPAC1-quinolin-8-ylsulfonylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C15H16N2O4S/c18-15(19)12-6-9-17(10-7-12)22(20,21)13-5-1-3-11-4-2-8-16-14(11)13/h1-5,8,12H,6-7,9-10H2,(H,18,19)
InChIKeyXBPDGFOSOHNQBQ-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.72
Rot. Bonds3

About 1-quinolin-8-ylsulfonylpiperidine-4-carboxylic acid

1-quinolin-8-ylsulfonylpiperidine-4-carboxylic acid (PubChem CID 694373) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-quinolin-8-ylsulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-quinolin-8-ylsulfonylpiperidine-4-carboxylic acid
PubChem CID694373
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name1-quinolin-8-ylsulfonylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C15H16N2O4S/c18-15(19)12-6-9-17(10-7-12)22(20,21)13-5-1-3-11-4-2-8-16-14(11)13/h1-5,8,12H,6-7,9-10H2,(H,18,19)
InChIKeyXBPDGFOSOHNQBQ-UHFFFAOYSA-N
XLogP1.72
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-quinolin-8-ylsulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 1-quinolin-8-ylsulfonylpiperidine-4-carboxylic acid (CID 694373) is 1-quinolin-8-ylsulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-quinolin-8-ylsulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-quinolin-8-ylsulfonylpiperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of 1-quinolin-8-ylsulfonylpiperidine-4-carboxylic acid?
The InChIKey is XBPDGFOSOHNQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c18-15(19)12-6-9-17(10-7-12)22(20,21)13-5-1-3-11-4-2-8-16-14(11)13/h1-5,8,12H,6-7,9-10H2,(H,18,19).
What are the key properties of 1-quinolin-8-ylsulfonylpiperidine-4-carboxylic acid?
1-quinolin-8-ylsulfonylpiperidine-4-carboxylic acid has a molecular weight of 320.37 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-8-ylsulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 694373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).