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

C9H15N5O4S — CID 54885210

IUPAC1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NCc2ncn[nH]2)C1
InChIInChI=1S/C9H15N5O4S/c15-9(16)7-2-1-3-14(5-7)19(17,18)12-4-8-10-6-11-13-8/h6-7,12H,1-5H2,(H,15,16)(H,10,11,13)
InChIKeyOBOWXXMQKRCSLP-UHFFFAOYSA-N
MW289.32 g/mol
LogP-1.06
Rot. Bonds5

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

1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-3-carboxylic acid (PubChem CID 54885210) 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-3-carboxylic acid.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-3-carboxylic acid
PubChem CID54885210
Molecular FormulaC9H15N5O4S
Molecular Weight289.32 g/mol
Exact Mass289.08
IUPAC Name1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NCc2ncn[nH]2)C1
InChIInChI=1S/C9H15N5O4S/c15-9(16)7-2-1-3-14(5-7)19(17,18)12-4-8-10-6-11-13-8/h6-7,12H,1-5H2,(H,15,16)(H,10,11,13)
InChIKeyOBOWXXMQKRCSLP-UHFFFAOYSA-N
XLogP-1.06
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 ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
CID 60859114
1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-4-carboxylic acid
CID 60979025
ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-3-carboxylate
CID 60983709
1-[(4-Methyl-1,2,4-triazol-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 61004215
1-[2-(4-Methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-3-carboxylic acid
CID 63332753
1-(1H-1,2,4-triazole-5-carbonyl)piperidine-3-carboxylic acid
CID 63648087
1-(1H-1,2,4-triazol-5-ylsulfamoyl)piperidine-3-carboxylic acid
CID 63664378
1-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]piperidine-3-carboxylic acid
CID 64510644
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 64510651
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 64510842
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
CID 64517144
3-methyl-1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
CID 64518878

Frequently Asked Questions

What is the IUPAC name of 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-3-carboxylic acid (CID 54885210) is 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)NCc2ncn[nH]2)C1.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-3-carboxylic acid?
The InChIKey is OBOWXXMQKRCSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O4S/c15-9(16)7-2-1-3-14(5-7)19(17,18)12-4-8-10-6-11-13-8/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-3-carboxylic acid?
1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-3-carboxylic acid has a molecular weight of 289.32 g/mol, XLogP of -1.06, 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-3-carboxylic acid is sourced from PubChem (CID 54885210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).