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

C11H19N5O4S — CID 63332753

IUPAC1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
SMILESCn1cnnc1CCNS(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H19N5O4S/c1-15-8-12-14-10(15)4-5-13-21(19,20)16-6-2-3-9(7-16)11(17)18/h8-9,13H,2-7H2,1H3,(H,17,18)
InChIKeyJCBILMKXYDCOJA-UHFFFAOYSA-N
MW317.37 g/mol
LogP-1.01
Rot. Bonds6

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

1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid (PubChem CID 63332753) has the molecular formula C11H19N5O4S and a molecular weight of 317.37 g/mol. Its IUPAC name is 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
PubChem CID63332753
Molecular FormulaC11H19N5O4S
Molecular Weight317.37 g/mol
Exact Mass317.12
IUPAC Name1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
SMILESCn1cnnc1CCNS(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H19N5O4S/c1-15-8-12-14-10(15)4-5-13-21(19,20)16-6-2-3-9(7-16)11(17)18/h8-9,13H,2-7H2,1H3,(H,17,18)
InChIKeyJCBILMKXYDCOJA-UHFFFAOYSA-N
XLogP-1.01
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-3-carboxylic acid
CID 54885210
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-4-carboxylic acid
CID 60858974
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
CID 60859114
1-[(4-Methyl-1,2,4-triazol-3-yl)methylsulfamoyl]piperidine-4-carboxylic acid
CID 61004214
1-[(4-Methyl-1,2,4-triazol-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 61004215
1-[(4-Methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 62118710
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 62119593
1-[2-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-6-oxopiperidine-3-carboxylic acid
CID 63330258
1-[2-(4-Methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 63330567
3-Methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 63331120
1-[2-(4-Methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-4-carboxylic acid
CID 63332752
1-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]piperidine-3-carboxylic acid
CID 64510644

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid (CID 63332753) is 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid is Cn1cnnc1CCNS(=O)(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is JCBILMKXYDCOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O4S/c1-15-8-12-14-10(15)4-5-13-21(19,20)16-6-2-3-9(7-16)11(17)18/h8-9,13H,2-7H2,1H3,(H,17,18).
What are the key properties of 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid?
1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 317.37 g/mol, XLogP of -1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 63332753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).