1-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]piperidine-3-carboxylic acid

C11H19N5O4S — CID 64510644

IUPAC1-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]piperidine-3-carboxylic acid
SMILESCc1nc(CN(C)S(=O)(=O)N2CCCC(C(=O)O)C2)n[nH]1
InChIInChI=1S/C11H19N5O4S/c1-8-12-10(14-13-8)7-15(2)21(19,20)16-5-3-4-9(6-16)11(17)18/h9H,3-7H2,1-2H3,(H,17,18)(H,12,13,14)
InChIKeyWKHVIJHDWWYZCQ-UHFFFAOYSA-N
MW317.37 g/mol
LogP-0.41
Rot. Bonds5

About 1-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]piperidine-3-carboxylic acid

1-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]piperidine-3-carboxylic acid (PubChem CID 64510644) has the molecular formula C11H19N5O4S and a molecular weight of 317.37 g/mol. Its IUPAC name is 1-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]piperidine-3-carboxylic acid
PubChem CID64510644
Molecular FormulaC11H19N5O4S
Molecular Weight317.37 g/mol
Exact Mass317.12
IUPAC Name1-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]piperidine-3-carboxylic acid
SMILESCc1nc(CN(C)S(=O)(=O)N2CCCC(C(=O)O)C2)n[nH]1
InChIInChI=1S/C11H19N5O4S/c1-8-12-10(14-13-8)7-15(2)21(19,20)16-5-3-4-9(6-16)11(17)18/h9H,3-7H2,1-2H3,(H,17,18)(H,12,13,14)
InChIKeyWKHVIJHDWWYZCQ-UHFFFAOYSA-N
XLogP-0.41
TPSA119.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]piperidine-3-carboxylic acid (CID 64510644) is 1-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]piperidine-3-carboxylic acid is Cc1nc(CN(C)S(=O)(=O)N2CCCC(C(=O)O)C2)n[nH]1.
What is the InChIKey of 1-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is WKHVIJHDWWYZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O4S/c1-8-12-10(14-13-8)7-15(2)21(19,20)16-5-3-4-9(6-16)11(17)18/h9H,3-7H2,1-2H3,(H,17,18)(H,12,13,14).
What are the key properties of 1-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]piperidine-3-carboxylic acid?
1-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 317.37 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 64510644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).