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

C12H17N3O4S — CID 60859077

IUPAC1-[methyl(pyridin-2-yl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCN(c1ccccn1)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H17N3O4S/c1-14(11-4-2-3-7-13-11)20(18,19)15-8-5-10(6-9-15)12(16)17/h2-4,7,10H,5-6,8-9H2,1H3,(H,16,17)
InChIKeyOTKVIODOCGDFKI-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.56
Rot. Bonds4

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

1-[methyl(pyridin-2-yl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 60859077) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-[methyl(pyridin-2-yl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(pyridin-2-yl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID60859077
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name1-[methyl(pyridin-2-yl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCN(c1ccccn1)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H17N3O4S/c1-14(11-4-2-3-7-13-11)20(18,19)15-8-5-10(6-9-15)12(16)17/h2-4,7,10H,5-6,8-9H2,1H3,(H,16,17)
InChIKeyOTKVIODOCGDFKI-UHFFFAOYSA-N
XLogP0.56
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[methyl(pyridin-2-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858938
1-[hydroxy(methyl)sulfamoyl]piperidine-4-carboxylic acid
CID 130884423
2-[methyl(pyridin-2-yl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342275
4-[[carboxy(pyridin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 145497572
2-[methyl(sulfamoyl)amino]pyridine
CID 112686069
N-methyl-N-(1-pyridin-2-ylethyl)-1-sulfamoylpiperidine-4-carboxamide
CID 146085172
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661
N-methyl-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 116653994
1-methyl-4-[methyl(pyridin-2-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 28740672
1-(2-oxo-2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
CID 71649612
1-[tert-butyl(pyridin-2-ylmethyl)amino]piperidine-4-carboxylic acid
CID 174808525
1-[(3-fluoro-2-pyridinyl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 103299708

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(pyridin-2-yl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[methyl(pyridin-2-yl)sulfamoyl]piperidine-4-carboxylic acid (CID 60859077) is 1-[methyl(pyridin-2-yl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[methyl(pyridin-2-yl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[methyl(pyridin-2-yl)sulfamoyl]piperidine-4-carboxylic acid is CN(c1ccccn1)S(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[methyl(pyridin-2-yl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is OTKVIODOCGDFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-14(11-4-2-3-7-13-11)20(18,19)15-8-5-10(6-9-15)12(16)17/h2-4,7,10H,5-6,8-9H2,1H3,(H,16,17).
What are the key properties of 1-[methyl(pyridin-2-yl)sulfamoyl]piperidine-4-carboxylic acid?
1-[methyl(pyridin-2-yl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 299.35 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(pyridin-2-yl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 60859077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).