1-(1H-1,2,4-triazol-5-ylsulfamoyl)piperidine-3-carboxylic acid

C8H13N5O4S — CID 63664378

IUPAC1-(1H-1,2,4-triazol-5-ylsulfamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)Nc2ncn[nH]2)C1
InChIInChI=1S/C8H13N5O4S/c14-7(15)6-2-1-3-13(4-6)18(16,17)12-8-9-5-10-11-8/h5-6H,1-4H2,(H,14,15)(H2,9,10,11,12)
InChIKeyYWSZDGGSMCHRBL-UHFFFAOYSA-N
MW275.29 g/mol
LogP-0.74
Rot. Bonds4

About 1-(1H-1,2,4-triazol-5-ylsulfamoyl)piperidine-3-carboxylic acid

1-(1H-1,2,4-triazol-5-ylsulfamoyl)piperidine-3-carboxylic acid (PubChem CID 63664378) has the molecular formula C8H13N5O4S and a molecular weight of 275.29 g/mol. Its IUPAC name is 1-(1H-1,2,4-triazol-5-ylsulfamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-ylsulfamoyl)piperidine-3-carboxylic acid
PubChem CID63664378
Molecular FormulaC8H13N5O4S
Molecular Weight275.29 g/mol
Exact Mass275.07
IUPAC Name1-(1H-1,2,4-triazol-5-ylsulfamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)Nc2ncn[nH]2)C1
InChIInChI=1S/C8H13N5O4S/c14-7(15)6-2-1-3-13(4-6)18(16,17)12-8-9-5-10-11-8/h5-6H,1-4H2,(H,14,15)(H2,9,10,11,12)
InChIKeyYWSZDGGSMCHRBL-UHFFFAOYSA-N
XLogP-0.74
TPSA128.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-1,2,4-triazol-5-ylsulfamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1H-1,2,4-triazol-5-ylsulfamoyl)piperidine-3-carboxylic acid (CID 63664378) is 1-(1H-1,2,4-triazol-5-ylsulfamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-ylsulfamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-ylsulfamoyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)Nc2ncn[nH]2)C1.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-ylsulfamoyl)piperidine-3-carboxylic acid?
The InChIKey is YWSZDGGSMCHRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O4S/c14-7(15)6-2-1-3-13(4-6)18(16,17)12-8-9-5-10-11-8/h5-6H,1-4H2,(H,14,15)(H2,9,10,11,12).
What are the key properties of 1-(1H-1,2,4-triazol-5-ylsulfamoyl)piperidine-3-carboxylic acid?
1-(1H-1,2,4-triazol-5-ylsulfamoyl)piperidine-3-carboxylic acid has a molecular weight of 275.29 g/mol, XLogP of -0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-1,2,4-triazol-5-ylsulfamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63664378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).