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

C12H17N3O4S — CID 79042560

IUPAC1-[(2-methyl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCc1ncccc1NS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C12H17N3O4S/c1-9-10(5-4-7-13-9)14-20(18,19)15-8-3-2-6-11(15)12(16)17/h4-5,7,11,14H,2-3,6,8H2,1H3,(H,16,17)
InChIKeyUAXGSSORRLYSAQ-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.99
Rot. Bonds4

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

1-[(2-methyl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylic acid (PubChem CID 79042560) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-[(2-methyl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methyl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylic acid
PubChem CID79042560
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name1-[(2-methyl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCc1ncccc1NS(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C12H17N3O4S/c1-9-10(5-4-7-13-9)14-20(18,19)15-8-3-2-6-11(15)12(16)17/h4-5,7,11,14H,2-3,6,8H2,1H3,(H,16,17)
InChIKeyUAXGSSORRLYSAQ-UHFFFAOYSA-N
XLogP0.99
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methyl-3-pyridinyl)carbamoyl]azepane-2-carboxylic acid
CID 79043925
1-[(4-methylphenyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60859865
1-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 60859217
1-[(2-bromo-5-chlorophenyl)sulfamoyl]piperidine-2-carboxylic acid
CID 81269396
2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 43210819
1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid
CID 24708710
1-(3-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 62339102
1-[2-(3-methyl-2-pyridinyl)acetyl]azepane-2-carboxylic acid
CID 107147224
1-(methoxysulfamoyl)piperidine-2-carboxylic acid
CID 64974074
(2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid
CID 104977959
1-[(2-methylcyclohexyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857587
1-(1,2-oxazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 114185928

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(2-methyl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylic acid (CID 79042560) is 1-[(2-methyl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-methyl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-methyl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylic acid is Cc1ncccc1NS(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[(2-methyl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylic acid?
The InChIKey is UAXGSSORRLYSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-9-10(5-4-7-13-9)14-20(18,19)15-8-3-2-6-11(15)12(16)17/h4-5,7,11,14H,2-3,6,8H2,1H3,(H,16,17).
What are the key properties of 1-[(2-methyl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylic acid?
1-[(2-methyl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 299.35 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 79042560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).