1-[methyl(pyridin-2-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid

C13H19N3O4S — CID 60858938

IUPAC1-[methyl(pyridin-2-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCN(Cc1ccccn1)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H19N3O4S/c1-15(10-12-4-2-3-7-14-12)21(19,20)16-8-5-11(6-9-16)13(17)18/h2-4,7,11H,5-6,8-10H2,1H3,(H,17,18)
InChIKeyXENDTUIPPJCPCU-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.55
Rot. Bonds5

About 1-[methyl(pyridin-2-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid

1-[methyl(pyridin-2-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 60858938) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-[methyl(pyridin-2-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(pyridin-2-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID60858938
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name1-[methyl(pyridin-2-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCN(Cc1ccccn1)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H19N3O4S/c1-15(10-12-4-2-3-7-14-12)21(19,20)16-8-5-11(6-9-16)13(17)18/h2-4,7,11H,5-6,8-10H2,1H3,(H,17,18)
InChIKeyXENDTUIPPJCPCU-UHFFFAOYSA-N
XLogP0.55
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[methyl(pyridin-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 60859077
4-[methyl(pyridin-2-ylmethyl)amino]cyclohexane-1-carboxylic acid
CID 115149112
1-[tert-butyl(pyridin-2-ylmethyl)amino]piperidine-4-carboxylic acid
CID 174808525
1-[hydroxy(methyl)sulfamoyl]piperidine-4-carboxylic acid
CID 130884423
1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone
CID 83290596
1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 43318535
N-cyclopropyl-N-(pyridin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55408979
2-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylic acid
CID 106742336
3-methyl-1-[methyl(pyridin-2-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102781852
N-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 115590459
1-(2-oxo-2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
CID 71649612
1-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 86824162

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(pyridin-2-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[methyl(pyridin-2-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid (CID 60858938) is 1-[methyl(pyridin-2-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[methyl(pyridin-2-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[methyl(pyridin-2-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid is CN(Cc1ccccn1)S(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[methyl(pyridin-2-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is XENDTUIPPJCPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-15(10-12-4-2-3-7-14-12)21(19,20)16-8-5-11(6-9-16)13(17)18/h2-4,7,11H,5-6,8-10H2,1H3,(H,17,18).
What are the key properties of 1-[methyl(pyridin-2-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid?
1-[methyl(pyridin-2-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 313.38 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(pyridin-2-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 60858938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).