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

C16H17NO4S — CID 7063081

IUPAC(3S)-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-/m0/s1
InChIKeyKTQWWYGLWQVHDM-AWEZNQCLSA-N
MW319.38 g/mol
LogP2.33
Rot. Bonds3

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

(3S)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid (PubChem CID 7063081) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is (3S)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid
PubChem CID7063081
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name(3S)-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-/m0/s1
InChIKeyKTQWWYGLWQVHDM-AWEZNQCLSA-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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Related Compounds

1-(Naphthalene-2-sulfonyl)piperidine-4-carboxylic acid
CID 811844
1-(4-Methylbenzenesulfonyl)piperidine-3-carboxylic acid
CID 2769960
(R)-1-(Naphthalene-2-sulfonyl)-piperidine-3-carboxylic acid
CID 7063083
1-Naphthalen-2-ylsulfonylpyrrolidine-3-carboxylic acid
CID 21747812
1-Anthracen-2-ylsulfonylpiperidine-3-carboxylic acid
CID 71451741
1-(2-Naphthylsulfonyl)-3-piperidinecarboxamide
CID 3753704
Ethyl 1-naphthalen-2-ylsulfonylpiperidine-3-carboxylate
CID 3785564
Ethyl 1-(1-naphthalen-2-ylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylate
CID 24819944
1-[4-(3-Phenylphenyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 71449918
Ethyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate
CID 735899
3-[4-(Naphthalene-2-sulfonyl)-piperazin-1-yl]-propionic acid
CID 2986639
1-(2-Naphthylsulfonyl)proline
CID 649141

Frequently Asked Questions

What is the IUPAC name of (3S)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid (CID 7063081) is (3S)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of (3S)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid?
The InChIKey is KTQWWYGLWQVHDM-AWEZNQCLSA-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-/m0/s1.
What are the key properties of (3S)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid?
(3S)-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 (3S)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 7063081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).