1-[methyl(pyridin-3-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid

C13H19N3O4S — CID 60857794

IUPAC1-[methyl(pyridin-3-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCN(Cc1cccnc1)S(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C13H19N3O4S/c1-15(10-11-5-4-7-14-9-11)21(19,20)16-8-3-2-6-12(16)13(17)18/h4-5,7,9,12H,2-3,6,8,10H2,1H3,(H,17,18)
InChIKeyUMIMDMBLKSLZIA-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.70
Rot. Bonds5

About 1-[methyl(pyridin-3-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid

1-[methyl(pyridin-3-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid (PubChem CID 60857794) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-[methyl(pyridin-3-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(pyridin-3-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid
PubChem CID60857794
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name1-[methyl(pyridin-3-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCN(Cc1cccnc1)S(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C13H19N3O4S/c1-15(10-11-5-4-7-14-9-11)21(19,20)16-8-3-2-6-12(16)13(17)18/h4-5,7,9,12H,2-3,6,8,10H2,1H3,(H,17,18)
InChIKeyUMIMDMBLKSLZIA-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methoxyphenyl)methyl-methylsulfamoyl]pyrrolidine-2-carboxylic acid
CID 71941905
(2R)-1-[methyl(pyridin-3-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922741
1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid
CID 24708710
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 64511039
4-[methyl(pyridin-3-ylmethyl)amino]-1-propylsulfonylpiperidine-2-carboxylic acid
CID 134073770
(2R)-N,2-dimethyl-N-(pyridin-4-ylmethyl)piperidine-1-sulfonamide
CID 94812189
1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 43356028
(2R,6R)-N,2,6-trimethyl-N-(pyridin-3-ylmethyl)morpholine-4-sulfonamide
CID 94173454
1-[methyl(2-methylsulfonylethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 79849932
cyclopentyl N-methyl-N-(pyridin-3-ylmethyl)carbamate
CID 112738794
1-(dimethylsulfamoyl)azepane-2-carboxylic acid
CID 64561301
N-methyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 58150961

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(pyridin-3-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[methyl(pyridin-3-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid (CID 60857794) is 1-[methyl(pyridin-3-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[methyl(pyridin-3-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[methyl(pyridin-3-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid is CN(Cc1cccnc1)S(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[methyl(pyridin-3-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid?
The InChIKey is UMIMDMBLKSLZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-15(10-11-5-4-7-14-9-11)21(19,20)16-8-3-2-6-12(16)13(17)18/h4-5,7,9,12H,2-3,6,8,10H2,1H3,(H,17,18).
What are the key properties of 1-[methyl(pyridin-3-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid?
1-[methyl(pyridin-3-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 313.38 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(pyridin-3-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 60857794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).