1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid

C10H17N5O4S — CID 64510842

IUPAC1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H17N5O4S/c1-14(6-9-11-7-12-13-9)20(18,19)15-4-2-8(3-5-15)10(16)17/h7-8H,2-6H2,1H3,(H,16,17)(H,11,12,13)
InChIKeyWGDCCWAXIDZTJF-UHFFFAOYSA-N
MW303.34 g/mol
LogP-0.72
Rot. Bonds5

About 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid

1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 64510842) has the molecular formula C10H17N5O4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID64510842
Molecular FormulaC10H17N5O4S
Molecular Weight303.34 g/mol
Exact Mass303.10
IUPAC Name1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H17N5O4S/c1-14(6-9-11-7-12-13-9)20(18,19)15-4-2-8(3-5-15)10(16)17/h7-8H,2-6H2,1H3,(H,16,17)(H,11,12,13)
InChIKeyWGDCCWAXIDZTJF-UHFFFAOYSA-N
XLogP-0.72
TPSA119.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(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-4-carboxylic acid
CID 61004214
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
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 64510651
1-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]piperidine-4-carboxylic acid
CID 64510837
methyl 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylate
CID 64510946
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 64511039

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid (CID 64510842) is 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid is CN(Cc1ncn[nH]1)S(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is WGDCCWAXIDZTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O4S/c1-14(6-9-11-7-12-13-9)20(18,19)15-4-2-8(3-5-15)10(16)17/h7-8H,2-6H2,1H3,(H,16,17)(H,11,12,13).
What are the key properties of 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid?
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 303.34 g/mol, XLogP of -0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 64510842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).