1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid

C13H19N3O4S — CID 103340811

IUPAC1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid
SMILESCN(C)S(=O)(=O)c1ccc(N2CCC(C(=O)O)CC2)nc1
InChIInChI=1S/C13H19N3O4S/c1-15(2)21(19,20)11-3-4-12(14-9-11)16-7-5-10(6-8-16)13(17)18/h3-4,9-10H,5-8H2,1-2H3,(H,17,18)
InChIKeyIYEYCGRKZSZBEB-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.63
Rot. Bonds4

About 1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid

1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid (PubChem CID 103340811) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid
PubChem CID103340811
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid
SMILESCN(C)S(=O)(=O)c1ccc(N2CCC(C(=O)O)CC2)nc1
InChIInChI=1S/C13H19N3O4S/c1-15(2)21(19,20)11-3-4-12(14-9-11)16-7-5-10(6-8-16)13(17)18/h3-4,9-10H,5-8H2,1-2H3,(H,17,18)
InChIKeyIYEYCGRKZSZBEB-UHFFFAOYSA-N
XLogP0.63
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(2-aminoethyl)piperidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide
CID 103341143
6-(4-hydroxy-4-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 103761642
6-(4-chloro-3-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 103341441
6-(3-chloro-4-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 103341456
6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709
1-(5-hydroxy-2-pyridinyl)piperidine-4-carboxylic acid
CID 67234813
1-[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]piperidine-4-carboxamide
CID 4816078
1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 66656112
4-[5-(dimethylsulfamoyl)-2-pyridinyl]thiomorpholine-3-carboxylic acid
CID 103340906
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
(3R)-1-[5-(diethylsulfamoyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 94434130
4-(dimethylsulfamoyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528100

Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid (CID 103340811) is 1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid is CN(C)S(=O)(=O)c1ccc(N2CCC(C(=O)O)CC2)nc1.
What is the InChIKey of 1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid?
The InChIKey is IYEYCGRKZSZBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-15(2)21(19,20)11-3-4-12(14-9-11)16-7-5-10(6-8-16)13(17)18/h3-4,9-10H,5-8H2,1-2H3,(H,17,18).
What are the key properties of 1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid?
1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid has a molecular weight of 313.38 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 103340811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).