(3R)-1-quinolin-8-ylsulfonylpiperidine-3-carboxylic acid

C15H16N2O4S — CID 42601317

IUPAC(3R)-1-quinolin-8-ylsulfonylpiperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C15H16N2O4S/c18-15(19)12-6-3-9-17(10-12)22(20,21)13-7-1-4-11-5-2-8-16-14(11)13/h1-2,4-5,7-8,12H,3,6,9-10H2,(H,18,19)/t12-/m1/s1
InChIKeyJPKWLUMWMBWVLL-GFCCVEGCSA-N
MW320.37 g/mol
LogP1.72
Rot. Bonds3

About (3R)-1-quinolin-8-ylsulfonylpiperidine-3-carboxylic acid

(3R)-1-quinolin-8-ylsulfonylpiperidine-3-carboxylic acid (PubChem CID 42601317) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is (3R)-1-quinolin-8-ylsulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-quinolin-8-ylsulfonylpiperidine-3-carboxylic acid
PubChem CID42601317
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name(3R)-1-quinolin-8-ylsulfonylpiperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C15H16N2O4S/c18-15(19)12-6-3-9-17(10-12)22(20,21)13-7-1-4-11-5-2-8-16-14(11)13/h1-2,4-5,7-8,12H,3,6,9-10H2,(H,18,19)/t12-/m1/s1
InChIKeyJPKWLUMWMBWVLL-GFCCVEGCSA-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 (3R)-1-quinolin-8-ylsulfonylpiperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-quinolin-8-ylsulfonylpiperidine-3-carboxylic acid (CID 42601317) is (3R)-1-quinolin-8-ylsulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-quinolin-8-ylsulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-quinolin-8-ylsulfonylpiperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1.
What is the InChIKey of (3R)-1-quinolin-8-ylsulfonylpiperidine-3-carboxylic acid?
The InChIKey is JPKWLUMWMBWVLL-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16N2O4S/c18-15(19)12-6-3-9-17(10-12)22(20,21)13-7-1-4-11-5-2-8-16-14(11)13/h1-2,4-5,7-8,12H,3,6,9-10H2,(H,18,19)/t12-/m1/s1.
What are the key properties of (3R)-1-quinolin-8-ylsulfonylpiperidine-3-carboxylic acid?
(3R)-1-quinolin-8-ylsulfonylpiperidine-3-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 (3R)-1-quinolin-8-ylsulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 42601317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).