1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-2-carboxylic acid

C11H19N5O4S — CID 60859115

IUPAC1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-2-carboxylic acid
SMILESCC(NS(=O)(=O)N1CCCCC1C(=O)O)c1nncn1C
InChIInChI=1S/C11H19N5O4S/c1-8(10-13-12-7-15(10)2)14-21(19,20)16-6-4-3-5-9(16)11(17)18/h7-9,14H,3-6H2,1-2H3,(H,17,18)
InChIKeyOCNDKEMEFSUCAY-UHFFFAOYSA-N
MW317.37 g/mol
LogP-0.35
Rot. Bonds5

About 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-2-carboxylic acid

1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-2-carboxylic acid (PubChem CID 60859115) has the molecular formula C11H19N5O4S and a molecular weight of 317.37 g/mol. Its IUPAC name is 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-2-carboxylic acid
PubChem CID60859115
Molecular FormulaC11H19N5O4S
Molecular Weight317.37 g/mol
Exact Mass317.12
IUPAC Name1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-2-carboxylic acid
SMILESCC(NS(=O)(=O)N1CCCCC1C(=O)O)c1nncn1C
InChIInChI=1S/C11H19N5O4S/c1-8(10-13-12-7-15(10)2)14-21(19,20)16-6-4-3-5-9(16)11(17)18/h7-9,14H,3-6H2,1-2H3,(H,17,18)
InChIKeyOCNDKEMEFSUCAY-UHFFFAOYSA-N
XLogP-0.35
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-2-carboxylic acid (CID 60859115) is 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-2-carboxylic acid is CC(NS(=O)(=O)N1CCCCC1C(=O)O)c1nncn1C.
What is the InChIKey of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-2-carboxylic acid?
The InChIKey is OCNDKEMEFSUCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O4S/c1-8(10-13-12-7-15(10)2)14-21(19,20)16-6-4-3-5-9(16)11(17)18/h7-9,14H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-2-carboxylic acid?
1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 317.37 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 60859115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).