(2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid

C14H18N2O5S — CID 7058609

IUPAC(2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C14H18N2O5S/c1-10(17)15-11-5-7-12(8-6-11)22(20,21)16-9-3-2-4-13(16)14(18)19/h5-8,13H,2-4,9H2,1H3,(H,15,17)(H,18,19)/t13-/m1/s1
InChIKeyBGVXSLAPWITTFG-CYBMUJFWSA-N
MW326.37 g/mol
LogP1.27
Rot. Bonds4

About (2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid

(2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid (PubChem CID 7058609) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is (2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid
PubChem CID7058609
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name(2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C14H18N2O5S/c1-10(17)15-11-5-7-12(8-6-11)22(20,21)16-9-3-2-4-13(16)14(18)19/h5-8,13H,2-4,9H2,1H3,(H,15,17)(H,18,19)/t13-/m1/s1
InChIKeyBGVXSLAPWITTFG-CYBMUJFWSA-N
XLogP1.27
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid
CID 7058607
(2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylate
CID 7058608
(2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8701358
N-[4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide
CID 11926480
N-[4-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide
CID 11926481
1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-2-carboxylic acid
CID 45307785
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865516
1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 23381612
(2R)-1-[4-[4-(2-aminopropanoylamino)phenyl]phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 175362968
(2S)-1-[4-(acetamidomethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 119126258
(2S)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 92887637
(2S)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8744138

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid (CID 7058609) is (2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid is CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)cc1.
What is the InChIKey of (2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid?
The InChIKey is BGVXSLAPWITTFG-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-10(17)15-11-5-7-12(8-6-11)22(20,21)16-9-3-2-4-13(16)14(18)19/h5-8,13H,2-4,9H2,1H3,(H,15,17)(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid?
(2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid has a molecular weight of 326.37 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 7058609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).