1-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid

C12H17N3O5S — CID 60933878

IUPAC1-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCn1cc(NS(=O)(=O)N2CCCC(C(=O)O)C2)ccc1=O
InChIInChI=1S/C12H17N3O5S/c1-14-8-10(4-5-11(14)16)13-21(19,20)15-6-2-3-9(7-15)12(17)18/h4-5,8-9,13H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyCMOBFNINICVTCS-UHFFFAOYSA-N
MW315.35 g/mol
LogP-0.16
Rot. Bonds4

About 1-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid

1-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid (PubChem CID 60933878) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is 1-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
PubChem CID60933878
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name1-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESCn1cc(NS(=O)(=O)N2CCCC(C(=O)O)C2)ccc1=O
InChIInChI=1S/C12H17N3O5S/c1-14-8-10(4-5-11(14)16)13-21(19,20)15-6-2-3-9(7-15)12(17)18/h4-5,8-9,13H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyCMOBFNINICVTCS-UHFFFAOYSA-N
XLogP-0.16
TPSA108.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid (CID 60933878) is 1-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid is Cn1cc(NS(=O)(=O)N2CCCC(C(=O)O)C2)ccc1=O.
What is the InChIKey of 1-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is CMOBFNINICVTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S/c1-14-8-10(4-5-11(14)16)13-21(19,20)15-6-2-3-9(7-15)12(17)18/h4-5,8-9,13H,2-3,6-7H2,1H3,(H,17,18).
What are the key properties of 1-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid?
1-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 60933878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).