1-[4-(ethylsulfamoyl)phenyl]piperidine-3-carboxylic acid

C14H20N2O4S — CID 43453928

IUPAC1-[4-(ethylsulfamoyl)phenyl]piperidine-3-carboxylic acid
SMILESCCNS(=O)(=O)c1ccc(N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C14H20N2O4S/c1-2-15-21(19,20)13-7-5-12(6-8-13)16-9-3-4-11(10-16)14(17)18/h5-8,11,15H,2-4,9-10H2,1H3,(H,17,18)
InChIKeyCWJYUJNJXLAYPR-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.29
Rot. Bonds5

About 1-[4-(ethylsulfamoyl)phenyl]piperidine-3-carboxylic acid

1-[4-(ethylsulfamoyl)phenyl]piperidine-3-carboxylic acid (PubChem CID 43453928) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-[4-(ethylsulfamoyl)phenyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(ethylsulfamoyl)phenyl]piperidine-3-carboxylic acid
PubChem CID43453928
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name1-[4-(ethylsulfamoyl)phenyl]piperidine-3-carboxylic acid
SMILESCCNS(=O)(=O)c1ccc(N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C14H20N2O4S/c1-2-15-21(19,20)13-7-5-12(6-8-13)16-9-3-4-11(10-16)14(17)18/h5-8,11,15H,2-4,9-10H2,1H3,(H,17,18)
InChIKeyCWJYUJNJXLAYPR-UHFFFAOYSA-N
XLogP1.29
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-propan-2-ylsulfonylphenyl)piperidine-3-carboxylic acid
CID 45156917
N-ethyl-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 115966637
4-(4-amino-3-ethylpiperidin-1-yl)-N-ethylbenzenesulfonamide
CID 81452208
N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 166604954
1-[4-(methylsulfanylmethyl)phenyl]piperidine-3-carboxylic acid
CID 83967234
4-(1,4-diazepan-1-yl)-N-ethylbenzenesulfonamide
CID 43453924
4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propylbenzenesulfonamide
CID 104892809
N-ethyl-4-[2-(methylaminomethyl)piperidin-1-yl]benzenesulfonamide
CID 63253614
1-(4-formylphenyl)piperidine-3-carboxylic acid
CID 83972018
1-[4-(2-aminoacetyl)phenyl]piperidine-3-carboxylic acid
CID 83971736
1-[4-(difluoromethylsulfonyl)phenyl]-N-propylpiperidine-3-carboxamide
CID 49431230
(3R)-1-[3-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-3-carboxylic acid
CID 94830904

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylsulfamoyl)phenyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[4-(ethylsulfamoyl)phenyl]piperidine-3-carboxylic acid (CID 43453928) is 1-[4-(ethylsulfamoyl)phenyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(ethylsulfamoyl)phenyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(ethylsulfamoyl)phenyl]piperidine-3-carboxylic acid is CCNS(=O)(=O)c1ccc(N2CCCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[4-(ethylsulfamoyl)phenyl]piperidine-3-carboxylic acid?
The InChIKey is CWJYUJNJXLAYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-2-15-21(19,20)13-7-5-12(6-8-13)16-9-3-4-11(10-16)14(17)18/h5-8,11,15H,2-4,9-10H2,1H3,(H,17,18).
What are the key properties of 1-[4-(ethylsulfamoyl)phenyl]piperidine-3-carboxylic acid?
1-[4-(ethylsulfamoyl)phenyl]piperidine-3-carboxylic acid has a molecular weight of 312.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylsulfamoyl)phenyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43453928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).