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

C9H15N5O4S — CID 54885351

IUPAC1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1S(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C9H15N5O4S/c15-9(16)7-3-1-2-4-14(7)19(17,18)12-5-8-10-6-11-13-8/h6-7,12H,1-5H2,(H,15,16)(H,10,11,13)
InChIKeyNQZWOJQQJRZYBZ-UHFFFAOYSA-N
MW289.32 g/mol
LogP-0.92
Rot. Bonds5

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

1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid (PubChem CID 54885351) has the molecular formula C9H15N5O4S and a molecular weight of 289.32 g/mol. Its IUPAC name is 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid
PubChem CID54885351
Molecular FormulaC9H15N5O4S
Molecular Weight289.32 g/mol
Exact Mass289.08
IUPAC Name1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1S(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C9H15N5O4S/c15-9(16)7-3-1-2-4-14(7)19(17,18)12-5-8-10-6-11-13-8/h6-7,12H,1-5H2,(H,15,16)(H,10,11,13)
InChIKeyNQZWOJQQJRZYBZ-UHFFFAOYSA-N
XLogP-0.92
TPSA128.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-6-amino-2-(1H-1,2,4-triazole-5-carbonylamino)hexanoic acid
CID 153724138
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-2-carboxylic acid
CID 60859115
1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-4-carboxylic acid
CID 60979025
1-[(4-Methyl-1,2,4-triazol-3-yl)methylsulfamoyl]piperidine-2-carboxylic acid
CID 61004099
1-[2-(4-Methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-2-carboxylic acid
CID 63332486
1-(1H-1,2,4-triazole-5-carbonyl)piperidine-2-carboxylic acid
CID 63648090
2-(1H-1,2,4-triazole-5-carbonylamino)hexanoic acid
CID 63654158
1-(1H-1,2,4-triazol-5-ylsulfamoyl)piperidine-2-carboxylic acid
CID 63664783
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 64511039
1-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]piperidine-2-carboxylic acid
CID 64511422
2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]hexanoic acid
CID 64516940
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-2-carboxylic acid
CID 64519836

Frequently Asked Questions

What is the IUPAC name of 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid (CID 54885351) is 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1S(=O)(=O)NCc1ncn[nH]1.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid?
The InChIKey is NQZWOJQQJRZYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O4S/c15-9(16)7-3-1-2-4-14(7)19(17,18)12-5-8-10-6-11-13-8/h6-7,12H,1-5H2,(H,15,16)(H,10,11,13).
What are the key properties of 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid?
1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid has a molecular weight of 289.32 g/mol, XLogP of -0.92, 5 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-ylmethylsulfamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 54885351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).