5-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole

C10H19N5O2S — CID 54883685

IUPAC5-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole
SMILESCN(C1CCCCC1)S(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C10H19N5O2S/c1-15(9-5-3-2-4-6-9)18(16,17)13-7-10-11-8-12-14-10/h8-9,13H,2-7H2,1H3,(H,11,12,14)
InChIKeyVELKJMOZJVUPHU-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.40
Rot. Bonds5

About 5-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole

5-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole (PubChem CID 54883685) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 5-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole
PubChem CID54883685
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC Name5-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole
SMILESCN(C1CCCCC1)S(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C10H19N5O2S/c1-15(9-5-3-2-4-6-9)18(16,17)13-7-10-11-8-12-14-10/h8-9,13H,2-7H2,1H3,(H,11,12,14)
InChIKeyVELKJMOZJVUPHU-UHFFFAOYSA-N
XLogP0.40
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole (CID 54883685) is 5-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole is CN(C1CCCCC1)S(=O)(=O)NCc1ncn[nH]1.
What is the InChIKey of 5-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole?
The InChIKey is VELKJMOZJVUPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-15(9-5-3-2-4-6-9)18(16,17)13-7-10-11-8-12-14-10/h8-9,13H,2-7H2,1H3,(H,11,12,14).
What are the key properties of 5-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole?
5-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole has a molecular weight of 273.36 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-1,2,4-triazole is sourced from PubChem (CID 54883685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).