5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole

C11H21N5O3S — CID 104818481

IUPAC5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole
SMILESCCOc1n[nH]c(NS(=O)(=O)N(C)C2CCCCC2)n1
InChIInChI=1S/C11H21N5O3S/c1-3-19-11-12-10(13-14-11)15-20(17,18)16(2)9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H2,12,13,14,15)
InChIKeyXNCJYTASAVHQPZ-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.12
Rot. Bonds6

About 5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole

5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole (PubChem CID 104818481) has the molecular formula C11H21N5O3S and a molecular weight of 303.39 g/mol. Its IUPAC name is 5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole
PubChem CID104818481
Molecular FormulaC11H21N5O3S
Molecular Weight303.39 g/mol
Exact Mass303.14
IUPAC Name5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole
SMILESCCOc1n[nH]c(NS(=O)(=O)N(C)C2CCCCC2)n1
InChIInChI=1S/C11H21N5O3S/c1-3-19-11-12-10(13-14-11)15-20(17,18)16(2)9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H2,12,13,14,15)
InChIKeyXNCJYTASAVHQPZ-UHFFFAOYSA-N
XLogP1.12
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole?
The IUPAC name of 5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole (CID 104818481) is 5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole.
What is the SMILES notation for 5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole?
The canonical SMILES for 5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole is CCOc1n[nH]c(NS(=O)(=O)N(C)C2CCCCC2)n1.
What is the InChIKey of 5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole?
The InChIKey is XNCJYTASAVHQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3S/c1-3-19-11-12-10(13-14-11)15-20(17,18)16(2)9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole?
5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole has a molecular weight of 303.39 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-ethoxy-1H-1,2,4-triazole is sourced from PubChem (CID 104818481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).