(2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylate

C14H17N2O5S- — CID 7058608

IUPAC(2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylate
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)/p-1/t13-/m1/s1
InChIKeyBGVXSLAPWITTFG-CYBMUJFWSA-M
MW325.37 g/mol
LogP-0.06
Rot. Bonds4

About (2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylate

(2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylate (PubChem CID 7058608) has the molecular formula C14H17N2O5S- and a molecular weight of 325.37 g/mol. Its IUPAC name is (2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylate.

Molecular Properties

Compound Name(2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylate
PubChem CID7058608
Molecular FormulaC14H17N2O5S-
Molecular Weight325.37 g/mol
Exact Mass325.09
IUPAC Name(2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylate
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)/p-1/t13-/m1/s1
InChIKeyBGVXSLAPWITTFG-CYBMUJFWSA-M
XLogP-0.06
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid
CID 7058609
(2S)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid
CID 7058607
(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
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865516
(2R)-1-(4-nitrophenyl)sulfonylpiperidine-2-carboxylate
CID 6946056
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
1-(4-carboxylatophenyl)sulfonylpyrrolidine-2-carboxylate
CID 3622357
(2S)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8744138
(2S)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 92887637
N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 659759

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylate?
The IUPAC name of (2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylate (CID 7058608) is (2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylate.
What is the SMILES notation for (2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylate?
The canonical SMILES for (2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylate 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-carboxylate?
The InChIKey is BGVXSLAPWITTFG-CYBMUJFWSA-M. 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)/p-1/t13-/m1/s1.
What are the key properties of (2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylate?
(2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylate has a molecular weight of 325.37 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylate is sourced from PubChem (CID 7058608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).