4-ethyl-1-(2-sulfamoylphenyl)piperidine-2-carboxylic acid

C14H20N2O4S — CID 114427524

IUPAC4-ethyl-1-(2-sulfamoylphenyl)piperidine-2-carboxylic acid
SMILESCCC1CCN(c2ccccc2S(N)(=O)=O)C(C(=O)O)C1
InChIInChI=1S/C14H20N2O4S/c1-2-10-7-8-16(12(9-10)14(17)18)11-5-3-4-6-13(11)21(15,19)20/h3-6,10,12H,2,7-9H2,1H3,(H,17,18)(H2,15,19,20)
InChIKeyHWQFFHOEZFPGAS-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.41
Rot. Bonds4

About 4-ethyl-1-(2-sulfamoylphenyl)piperidine-2-carboxylic acid

4-ethyl-1-(2-sulfamoylphenyl)piperidine-2-carboxylic acid (PubChem CID 114427524) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-ethyl-1-(2-sulfamoylphenyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(2-sulfamoylphenyl)piperidine-2-carboxylic acid
PubChem CID114427524
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name4-ethyl-1-(2-sulfamoylphenyl)piperidine-2-carboxylic acid
SMILESCCC1CCN(c2ccccc2S(N)(=O)=O)C(C(=O)O)C1
InChIInChI=1S/C14H20N2O4S/c1-2-10-7-8-16(12(9-10)14(17)18)11-5-3-4-6-13(11)21(15,19)20/h3-6,10,12H,2,7-9H2,1H3,(H,17,18)(H2,15,19,20)
InChIKeyHWQFFHOEZFPGAS-UHFFFAOYSA-N
XLogP1.41
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1-(4-methylsulfonylphenyl)piperidine-2-carboxylic acid
CID 114427648
1-(3-chloro-2-cyanophenyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427570
1-(1,3-benzoxazol-2-yl)-4-ethylpiperidine-2-carboxylic acid
CID 114427658
1-(3-chloro-2-nitrophenyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427582
1-benzylsulfonyl-4-ethylpiperidine-2-carboxylic acid
CID 114427399
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-methylbenzenesulfonamide
CID 103353710
1-(2-ethylsulfonylphenyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43453509
1-(3-carbamoyl-2-pyridinyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427498
4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid
CID 114788663
4-ethyl-1-(2-methylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114427599
1-(5-chloro-2-cyanophenyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427574
4-ethyl-1-(2-methyl-5-nitrophenyl)piperidine-2-carboxylic acid
CID 114427517

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-sulfamoylphenyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-(2-sulfamoylphenyl)piperidine-2-carboxylic acid (CID 114427524) is 4-ethyl-1-(2-sulfamoylphenyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(2-sulfamoylphenyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(2-sulfamoylphenyl)piperidine-2-carboxylic acid is CCC1CCN(c2ccccc2S(N)(=O)=O)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-(2-sulfamoylphenyl)piperidine-2-carboxylic acid?
The InChIKey is HWQFFHOEZFPGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-2-10-7-8-16(12(9-10)14(17)18)11-5-3-4-6-13(11)21(15,19)20/h3-6,10,12H,2,7-9H2,1H3,(H,17,18)(H2,15,19,20).
What are the key properties of 4-ethyl-1-(2-sulfamoylphenyl)piperidine-2-carboxylic acid?
4-ethyl-1-(2-sulfamoylphenyl)piperidine-2-carboxylic acid has a molecular weight of 312.39 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-sulfamoylphenyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114427524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).