methyl 1-[[2-(2-oxo-1-pyridinyl)acetyl]sulfamoyl]piperidine-4-carboxylate

C14H19N3O6S — CID 55995923

IUPACmethyl 1-[[2-(2-oxo-1-pyridinyl)acetyl]sulfamoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)NC(=O)Cn2ccccc2=O)CC1
InChIInChI=1S/C14H19N3O6S/c1-23-14(20)11-5-8-17(9-6-11)24(21,22)15-12(18)10-16-7-3-2-4-13(16)19/h2-4,7,11H,5-6,8-10H2,1H3,(H,15,18)
InChIKeyCMIBSXAAHOZIKK-UHFFFAOYSA-N
MW357.39 g/mol
LogP-0.91
Rot. Bonds5

About methyl 1-[[2-(2-oxo-1-pyridinyl)acetyl]sulfamoyl]piperidine-4-carboxylate

methyl 1-[[2-(2-oxo-1-pyridinyl)acetyl]sulfamoyl]piperidine-4-carboxylate (PubChem CID 55995923) has the molecular formula C14H19N3O6S and a molecular weight of 357.39 g/mol. Its IUPAC name is methyl 1-[[2-(2-oxo-1-pyridinyl)acetyl]sulfamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-(2-oxo-1-pyridinyl)acetyl]sulfamoyl]piperidine-4-carboxylate
PubChem CID55995923
Molecular FormulaC14H19N3O6S
Molecular Weight357.39 g/mol
Exact Mass357.10
IUPAC Namemethyl 1-[[2-(2-oxo-1-pyridinyl)acetyl]sulfamoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)NC(=O)Cn2ccccc2=O)CC1
InChIInChI=1S/C14H19N3O6S/c1-23-14(20)11-5-8-17(9-6-11)24(21,22)15-12(18)10-16-7-3-2-4-13(16)19/h2-4,7,11H,5-6,8-10H2,1H3,(H,15,18)
InChIKeyCMIBSXAAHOZIKK-UHFFFAOYSA-N
XLogP-0.91
TPSA114.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2-(2-oxo-1-pyridinyl)acetyl]sulfamoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[[2-(2-oxo-1-pyridinyl)acetyl]sulfamoyl]piperidine-4-carboxylate (CID 55995923) is methyl 1-[[2-(2-oxo-1-pyridinyl)acetyl]sulfamoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[[2-(2-oxo-1-pyridinyl)acetyl]sulfamoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[[2-(2-oxo-1-pyridinyl)acetyl]sulfamoyl]piperidine-4-carboxylate is COC(=O)C1CCN(S(=O)(=O)NC(=O)Cn2ccccc2=O)CC1.
What is the InChIKey of methyl 1-[[2-(2-oxo-1-pyridinyl)acetyl]sulfamoyl]piperidine-4-carboxylate?
The InChIKey is CMIBSXAAHOZIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O6S/c1-23-14(20)11-5-8-17(9-6-11)24(21,22)15-12(18)10-16-7-3-2-4-13(16)19/h2-4,7,11H,5-6,8-10H2,1H3,(H,15,18).
What are the key properties of methyl 1-[[2-(2-oxo-1-pyridinyl)acetyl]sulfamoyl]piperidine-4-carboxylate?
methyl 1-[[2-(2-oxo-1-pyridinyl)acetyl]sulfamoyl]piperidine-4-carboxylate has a molecular weight of 357.39 g/mol, XLogP of -0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-(2-oxo-1-pyridinyl)acetyl]sulfamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 55995923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).