N-(benzylsulfamoyl)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine

C13H19N5O2S — CID 56910620

IUPACN-(benzylsulfamoyl)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine
SMILESCc1nc(C)n(CCNS(=O)(=O)NCc2ccccc2)n1
InChIInChI=1S/C13H19N5O2S/c1-11-16-12(2)18(17-11)9-8-14-21(19,20)15-10-13-6-4-3-5-7-13/h3-7,14-15H,8-10H2,1-2H3
InChIKeyRPJKKVWRFACQEA-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.52
Rot. Bonds7

About N-(benzylsulfamoyl)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine

N-(benzylsulfamoyl)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine (PubChem CID 56910620) has the molecular formula C13H19N5O2S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(benzylsulfamoyl)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-(benzylsulfamoyl)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine
PubChem CID56910620
Molecular FormulaC13H19N5O2S
Molecular Weight309.39 g/mol
Exact Mass309.13
IUPAC NameN-(benzylsulfamoyl)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine
SMILESCc1nc(C)n(CCNS(=O)(=O)NCc2ccccc2)n1
InChIInChI=1S/C13H19N5O2S/c1-11-16-12(2)18(17-11)9-8-14-21(19,20)15-10-13-6-4-3-5-7-13/h3-7,14-15H,8-10H2,1-2H3
InChIKeyRPJKKVWRFACQEA-UHFFFAOYSA-N
XLogP0.52
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(benzylsulfamoyl)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine?
The IUPAC name of N-(benzylsulfamoyl)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine (CID 56910620) is N-(benzylsulfamoyl)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine.
What is the SMILES notation for N-(benzylsulfamoyl)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine?
The canonical SMILES for N-(benzylsulfamoyl)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine is Cc1nc(C)n(CCNS(=O)(=O)NCc2ccccc2)n1.
What is the InChIKey of N-(benzylsulfamoyl)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine?
The InChIKey is RPJKKVWRFACQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-11-16-12(2)18(17-11)9-8-14-21(19,20)15-10-13-6-4-3-5-7-13/h3-7,14-15H,8-10H2,1-2H3.
What are the key properties of N-(benzylsulfamoyl)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine?
N-(benzylsulfamoyl)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine has a molecular weight of 309.39 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylsulfamoyl)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine is sourced from PubChem (CID 56910620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).