1-[(4-methylphenyl)sulfamoyl]piperidine-2-carboxylic acid

C13H18N2O4S — CID 60859865

IUPAC1-[(4-methylphenyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCc1ccc(NS(=O)(=O)N2CCCCC2C(=O)O)cc1
InChIInChI=1S/C13H18N2O4S/c1-10-5-7-11(8-6-10)14-20(18,19)15-9-3-2-4-12(15)13(16)17/h5-8,12,14H,2-4,9H2,1H3,(H,16,17)
InChIKeyRVUIZFFMKYCBQB-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.59
Rot. Bonds4

About 1-[(4-methylphenyl)sulfamoyl]piperidine-2-carboxylic acid

1-[(4-methylphenyl)sulfamoyl]piperidine-2-carboxylic acid (PubChem CID 60859865) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-[(4-methylphenyl)sulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methylphenyl)sulfamoyl]piperidine-2-carboxylic acid
PubChem CID60859865
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name1-[(4-methylphenyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCc1ccc(NS(=O)(=O)N2CCCCC2C(=O)O)cc1
InChIInChI=1S/C13H18N2O4S/c1-10-5-7-11(8-6-10)14-20(18,19)15-9-3-2-4-12(15)13(16)17/h5-8,12,14H,2-4,9H2,1H3,(H,16,17)
InChIKeyRVUIZFFMKYCBQB-UHFFFAOYSA-N
XLogP1.59
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)sulfamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(4-methylphenyl)sulfamoyl]piperidine-2-carboxylic acid (CID 60859865) is 1-[(4-methylphenyl)sulfamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-methylphenyl)sulfamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-methylphenyl)sulfamoyl]piperidine-2-carboxylic acid is Cc1ccc(NS(=O)(=O)N2CCCCC2C(=O)O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)sulfamoyl]piperidine-2-carboxylic acid?
The InChIKey is RVUIZFFMKYCBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-10-5-7-11(8-6-10)14-20(18,19)15-9-3-2-4-12(15)13(16)17/h5-8,12,14H,2-4,9H2,1H3,(H,16,17).
What are the key properties of 1-[(4-methylphenyl)sulfamoyl]piperidine-2-carboxylic acid?
1-[(4-methylphenyl)sulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 298.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)sulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 60859865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).