1-[2-(prop-2-enylsulfamoyl)phenyl]piperidine-4-carboxylic acid

C15H20N2O4S — CID 166258902

IUPAC1-[2-(prop-2-enylsulfamoyl)phenyl]piperidine-4-carboxylic acid
SMILESC=CCNS(=O)(=O)c1ccccc1N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H20N2O4S/c1-2-9-16-22(20,21)14-6-4-3-5-13(14)17-10-7-12(8-11-17)15(18)19/h2-6,12,16H,1,7-11H2,(H,18,19)
InChIKeyXVHLDXQROYHNPC-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.45
Rot. Bonds6

About 1-[2-(prop-2-enylsulfamoyl)phenyl]piperidine-4-carboxylic acid

1-[2-(prop-2-enylsulfamoyl)phenyl]piperidine-4-carboxylic acid (PubChem CID 166258902) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-[2-(prop-2-enylsulfamoyl)phenyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(prop-2-enylsulfamoyl)phenyl]piperidine-4-carboxylic acid
PubChem CID166258902
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name1-[2-(prop-2-enylsulfamoyl)phenyl]piperidine-4-carboxylic acid
SMILESC=CCNS(=O)(=O)c1ccccc1N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H20N2O4S/c1-2-9-16-22(20,21)14-6-4-3-5-13(14)17-10-7-12(8-11-17)15(18)19/h2-6,12,16H,1,7-11H2,(H,18,19)
InChIKeyXVHLDXQROYHNPC-UHFFFAOYSA-N
XLogP1.45
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylpiperazin-1-yl)-3-(prop-2-enylsulfamoyl)benzoic acid
CID 21430444
N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]benzenesulfonamide
CID 61146535
1-(2-carboxyphenyl)piperidine-4-carboxylic acid
CID 82537864
1-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]ethanone
CID 63844803
N-methyl-2-(4-prop-2-enoylpiperazin-1-yl)benzenesulfonamide
CID 166406112
3-(prop-2-enylsulfamoyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 30497083
methyl 1-[2-(difluoromethylsulfonyl)phenyl]piperidine-4-carboxylate
CID 133275055
1-[2-[(2,3-dichlorophenyl)sulfonylamino]acetyl]piperidine-4-carboxylic acid
CID 139889249
2-fluoro-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 134004891
2-[3-(methylamino)pyrrolidin-1-yl]-N-propylbenzenesulfonamide
CID 115300944
cis-(1S,3R)-3-[[3-(prop-2-enylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676463
5-methyl-1-[3-(prop-2-enylsulfamoyl)benzoyl]piperidine-3-carboxylic acid
CID 122119219

Frequently Asked Questions

What is the IUPAC name of 1-[2-(prop-2-enylsulfamoyl)phenyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(prop-2-enylsulfamoyl)phenyl]piperidine-4-carboxylic acid (CID 166258902) is 1-[2-(prop-2-enylsulfamoyl)phenyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(prop-2-enylsulfamoyl)phenyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(prop-2-enylsulfamoyl)phenyl]piperidine-4-carboxylic acid is C=CCNS(=O)(=O)c1ccccc1N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-(prop-2-enylsulfamoyl)phenyl]piperidine-4-carboxylic acid?
The InChIKey is XVHLDXQROYHNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-2-9-16-22(20,21)14-6-4-3-5-13(14)17-10-7-12(8-11-17)15(18)19/h2-6,12,16H,1,7-11H2,(H,18,19).
What are the key properties of 1-[2-(prop-2-enylsulfamoyl)phenyl]piperidine-4-carboxylic acid?
1-[2-(prop-2-enylsulfamoyl)phenyl]piperidine-4-carboxylic acid has a molecular weight of 324.40 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(prop-2-enylsulfamoyl)phenyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 166258902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).