1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-2-carboxylic acid

C10H17N5O4S — CID 64547804

IUPAC1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1S(=O)(=O)NCCc1ncn[nH]1
InChIInChI=1S/C10H17N5O4S/c16-10(17)8-3-1-2-6-15(8)20(18,19)13-5-4-9-11-7-12-14-9/h7-8,13H,1-6H2,(H,16,17)(H,11,12,14)
InChIKeyCDNCVMFRZVPDAR-UHFFFAOYSA-N
MW303.34 g/mol
LogP-0.88
Rot. Bonds6

About 1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-2-carboxylic acid

1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-2-carboxylic acid (PubChem CID 64547804) has the molecular formula C10H17N5O4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-2-carboxylic acid
PubChem CID64547804
Molecular FormulaC10H17N5O4S
Molecular Weight303.34 g/mol
Exact Mass303.10
IUPAC Name1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1S(=O)(=O)NCCc1ncn[nH]1
InChIInChI=1S/C10H17N5O4S/c16-10(17)8-3-1-2-6-15(8)20(18,19)13-5-4-9-11-7-12-14-9/h7-8,13H,1-6H2,(H,16,17)(H,11,12,14)
InChIKeyCDNCVMFRZVPDAR-UHFFFAOYSA-N
XLogP-0.88
TPSA128.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide
CID 64530904
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 64511039
1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]azepane-2-carboxylic acid
CID 64561967
ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)pyrrolidine-2-carboxylate
CID 60983590
1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid
CID 54931954
1-(butylsulfamoyl)piperidine-2-carboxylic acid
CID 60857762
1-(pentylsulfamoyl)piperidine-2-carboxylic acid
CID 60857759
1-[2-(carbamoylamino)ethylsulfamoyl]piperidine-2-carboxylic acid
CID 83116927
1-[3-(methylamino)propylsulfamoyl]piperidine-2-carboxylic acid
CID 61403826
1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 64524307
2-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]propanoic acid
CID 64547817
1-(cyclopentylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 60857626

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-2-carboxylic acid (CID 64547804) is 1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1S(=O)(=O)NCCc1ncn[nH]1.
What is the InChIKey of 1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-2-carboxylic acid?
The InChIKey is CDNCVMFRZVPDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O4S/c16-10(17)8-3-1-2-6-15(8)20(18,19)13-5-4-9-11-7-12-14-9/h7-8,13H,1-6H2,(H,16,17)(H,11,12,14).
What are the key properties of 1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-2-carboxylic acid?
1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 303.34 g/mol, XLogP of -0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 64547804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).