1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylic acid

C9H14N4O4S — CID 60858288

IUPAC1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)Nc2cn[nH]c2)CC1
InChIInChI=1S/C9H14N4O4S/c14-9(15)7-1-3-13(4-2-7)18(16,17)12-8-5-10-11-6-8/h5-7,12H,1-4H2,(H,10,11)(H,14,15)
InChIKeyJESGZADRRQKESL-UHFFFAOYSA-N
MW274.30 g/mol
LogP-0.14
Rot. Bonds4

About 1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylic acid

1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylic acid (PubChem CID 60858288) has the molecular formula C9H14N4O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylic acid
PubChem CID60858288
Molecular FormulaC9H14N4O4S
Molecular Weight274.30 g/mol
Exact Mass274.07
IUPAC Name1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)Nc2cn[nH]c2)CC1
InChIInChI=1S/C9H14N4O4S/c14-9(15)7-1-3-13(4-2-7)18(16,17)12-8-5-10-11-6-8/h5-7,12H,1-4H2,(H,10,11)(H,14,15)
InChIKeyJESGZADRRQKESL-UHFFFAOYSA-N
XLogP-0.14
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylic acid (CID 60858288) is 1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)Nc2cn[nH]c2)CC1.
What is the InChIKey of 1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylic acid?
The InChIKey is JESGZADRRQKESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4S/c14-9(15)7-1-3-13(4-2-7)18(16,17)12-8-5-10-11-6-8/h5-7,12H,1-4H2,(H,10,11)(H,14,15).
What are the key properties of 1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylic acid?
1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-ylsulfamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 60858288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).