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

C10H17N5O4S — CID 61004214

IUPAC1-[(4-methyl-1,2,4-triazol-3-yl)methylsulfamoyl]piperidine-4-carboxylic acid
SMILESCn1cnnc1CNS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H17N5O4S/c1-14-7-11-13-9(14)6-12-20(18,19)15-4-2-8(3-5-15)10(16)17/h7-8,12H,2-6H2,1H3,(H,16,17)
InChIKeyWGUCPJDXEHHIGW-UHFFFAOYSA-N
MW303.34 g/mol
LogP-1.05
Rot. Bonds5

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

1-[(4-methyl-1,2,4-triazol-3-yl)methylsulfamoyl]piperidine-4-carboxylic acid (PubChem CID 61004214) has the molecular formula C10H17N5O4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-[(4-methyl-1,2,4-triazol-3-yl)methylsulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methyl-1,2,4-triazol-3-yl)methylsulfamoyl]piperidine-4-carboxylic acid
PubChem CID61004214
Molecular FormulaC10H17N5O4S
Molecular Weight303.34 g/mol
Exact Mass303.10
IUPAC Name1-[(4-methyl-1,2,4-triazol-3-yl)methylsulfamoyl]piperidine-4-carboxylic acid
SMILESCn1cnnc1CNS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H17N5O4S/c1-14-7-11-13-9(14)6-12-20(18,19)15-4-2-8(3-5-15)10(16)17/h7-8,12H,2-6H2,1H3,(H,16,17)
InChIKeyWGUCPJDXEHHIGW-UHFFFAOYSA-N
XLogP-1.05
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid
CID 43524950
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-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-4-carboxylic acid
CID 60979025
methyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-4-carboxylate
CID 60981879
ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-4-carboxylate
CID 60983708
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-4-carboxylic acid
CID 62118883
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 62119255
2-[1-[(4-Methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 62674686
1-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124520
4-Methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 63124683

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)methylsulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)methylsulfamoyl]piperidine-4-carboxylic acid (CID 61004214) is 1-[(4-methyl-1,2,4-triazol-3-yl)methylsulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-methyl-1,2,4-triazol-3-yl)methylsulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-methyl-1,2,4-triazol-3-yl)methylsulfamoyl]piperidine-4-carboxylic acid is Cn1cnnc1CNS(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(4-methyl-1,2,4-triazol-3-yl)methylsulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is WGUCPJDXEHHIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O4S/c1-14-7-11-13-9(14)6-12-20(18,19)15-4-2-8(3-5-15)10(16)17/h7-8,12H,2-6H2,1H3,(H,16,17).
What are the key properties of 1-[(4-methyl-1,2,4-triazol-3-yl)methylsulfamoyl]piperidine-4-carboxylic acid?
1-[(4-methyl-1,2,4-triazol-3-yl)methylsulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 303.34 g/mol, XLogP of -1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,2,4-triazol-3-yl)methylsulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 61004214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).