1-(1H-pyrazol-4-ylmethylsulfamoyl)piperidine-2-carboxylic acid

C10H16N4O4S — CID 54896946

IUPAC1-(1H-pyrazol-4-ylmethylsulfamoyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1S(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C10H16N4O4S/c15-10(16)9-3-1-2-4-14(9)19(17,18)13-7-8-5-11-12-6-8/h5-6,9,13H,1-4,7H2,(H,11,12)(H,15,16)
InChIKeyKHYAWNQJOYBXCR-UHFFFAOYSA-N
MW288.33 g/mol
LogP-0.32
Rot. Bonds5

About 1-(1H-pyrazol-4-ylmethylsulfamoyl)piperidine-2-carboxylic acid

1-(1H-pyrazol-4-ylmethylsulfamoyl)piperidine-2-carboxylic acid (PubChem CID 54896946) has the molecular formula C10H16N4O4S and a molecular weight of 288.33 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-ylmethylsulfamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1H-pyrazol-4-ylmethylsulfamoyl)piperidine-2-carboxylic acid
PubChem CID54896946
Molecular FormulaC10H16N4O4S
Molecular Weight288.33 g/mol
Exact Mass288.09
IUPAC Name1-(1H-pyrazol-4-ylmethylsulfamoyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1S(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C10H16N4O4S/c15-10(16)9-3-1-2-4-14(9)19(17,18)13-7-8-5-11-12-6-8/h5-6,9,13H,1-4,7H2,(H,11,12)(H,15,16)
InChIKeyKHYAWNQJOYBXCR-UHFFFAOYSA-N
XLogP-0.32
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 5-0.32
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-ylmethylsulfamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1H-pyrazol-4-ylmethylsulfamoyl)piperidine-2-carboxylic acid (CID 54896946) is 1-(1H-pyrazol-4-ylmethylsulfamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1H-pyrazol-4-ylmethylsulfamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1H-pyrazol-4-ylmethylsulfamoyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1S(=O)(=O)NCc1cn[nH]c1.
What is the InChIKey of 1-(1H-pyrazol-4-ylmethylsulfamoyl)piperidine-2-carboxylic acid?
The InChIKey is KHYAWNQJOYBXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4S/c15-10(16)9-3-1-2-4-14(9)19(17,18)13-7-8-5-11-12-6-8/h5-6,9,13H,1-4,7H2,(H,11,12)(H,15,16).
What are the key properties of 1-(1H-pyrazol-4-ylmethylsulfamoyl)piperidine-2-carboxylic acid?
1-(1H-pyrazol-4-ylmethylsulfamoyl)piperidine-2-carboxylic acid has a molecular weight of 288.33 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-ylmethylsulfamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 54896946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).