(3R)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid

C16H17NO4S — CID 7063083

IUPAC(3R)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C16H17NO4S/c18-16(19)14-6-3-9-17(11-14)22(20,21)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H,18,19)/t14-/m1/s1
InChIKeyKTQWWYGLWQVHDM-CQSZACIVSA-N
MW319.38 g/mol
LogP2.33
Rot. Bonds3

About (3R)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid

(3R)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid (PubChem CID 7063083) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is (3R)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid
PubChem CID7063083
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name(3R)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C16H17NO4S/c18-16(19)14-6-3-9-17(11-14)22(20,21)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H,18,19)/t14-/m1/s1
InChIKeyKTQWWYGLWQVHDM-CQSZACIVSA-N
XLogP2.33
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid (CID 7063083) is (3R)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of (3R)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid?
The InChIKey is KTQWWYGLWQVHDM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17NO4S/c18-16(19)14-6-3-9-17(11-14)22(20,21)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H,18,19)/t14-/m1/s1.
What are the key properties of (3R)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid?
(3R)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid has a molecular weight of 319.38 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 7063083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).