1-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]piperidine-3-carboxylic acid

C10H14N4O5S — CID 116786481

IUPAC1-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)Nc2ccc(=O)[nH]n2)C1
InChIInChI=1S/C10H14N4O5S/c15-9-4-3-8(11-12-9)13-20(18,19)14-5-1-2-7(6-14)10(16)17/h3-4,7H,1-2,5-6H2,(H,11,13)(H,12,15)(H,16,17)
InChIKeyNYVQGCLLJXNFEB-UHFFFAOYSA-N
MW302.31 g/mol
LogP-0.78
Rot. Bonds4

About 1-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]piperidine-3-carboxylic acid

1-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]piperidine-3-carboxylic acid (PubChem CID 116786481) has the molecular formula C10H14N4O5S and a molecular weight of 302.31 g/mol. Its IUPAC name is 1-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]piperidine-3-carboxylic acid
PubChem CID116786481
Molecular FormulaC10H14N4O5S
Molecular Weight302.31 g/mol
Exact Mass302.07
IUPAC Name1-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)Nc2ccc(=O)[nH]n2)C1
InChIInChI=1S/C10H14N4O5S/c15-9-4-3-8(11-12-9)13-20(18,19)14-5-1-2-7(6-14)10(16)17/h3-4,7H,1-2,5-6H2,(H,11,13)(H,12,15)(H,16,17)
InChIKeyNYVQGCLLJXNFEB-UHFFFAOYSA-N
XLogP-0.78
TPSA132.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-bromo-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858588
1-[(5-fluoro-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
CID 65482248
1-[(2,6-dichlorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60857772
1-[(2,6-difluorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859885
1-(1,3,4-thiadiazol-2-ylsulfamoyl)piperidine-3-carboxylic acid
CID 60859075
1-[(2-chloro-5-fluorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 107526936
1-[(3-fluoro-4-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
CID 107594803
1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859380
1-[(2,5-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858070
1-(dimethylaminosulfamoyl)piperidine-3-carboxylic acid
CID 83003975
1-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859714
1-(ethoxysulfamoyl)piperidine-3-carboxylic acid
CID 62032210

Frequently Asked Questions

What is the IUPAC name of 1-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]piperidine-3-carboxylic acid (CID 116786481) is 1-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)Nc2ccc(=O)[nH]n2)C1.
What is the InChIKey of 1-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is NYVQGCLLJXNFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O5S/c15-9-4-3-8(11-12-9)13-20(18,19)14-5-1-2-7(6-14)10(16)17/h3-4,7H,1-2,5-6H2,(H,11,13)(H,12,15)(H,16,17).
What are the key properties of 1-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]piperidine-3-carboxylic acid?
1-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 302.31 g/mol, XLogP of -0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 116786481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).