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

C10H19N5O3S — CID 83096536

IUPAC5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methoxy-1H-1,2,4-triazole
SMILESCOc1n[nH]c(NS(=O)(=O)N(C)C2CCCCC2)n1
InChIInChI=1S/C10H19N5O3S/c1-15(8-6-4-3-5-7-8)19(16,17)14-9-11-10(18-2)13-12-9/h8H,3-7H2,1-2H3,(H2,11,12,13,14)
InChIKeyNZYVKMDKIQKXIH-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.73
Rot. Bonds5

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

5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methoxy-1H-1,2,4-triazole (PubChem CID 83096536) has the molecular formula C10H19N5O3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methoxy-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methoxy-1H-1,2,4-triazole
PubChem CID83096536
Molecular FormulaC10H19N5O3S
Molecular Weight289.36 g/mol
Exact Mass289.12
IUPAC Name5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methoxy-1H-1,2,4-triazole
SMILESCOc1n[nH]c(NS(=O)(=O)N(C)C2CCCCC2)n1
InChIInChI=1S/C10H19N5O3S/c1-15(8-6-4-3-5-7-8)19(16,17)14-9-11-10(18-2)13-12-9/h8H,3-7H2,1-2H3,(H2,11,12,13,14)
InChIKeyNZYVKMDKIQKXIH-UHFFFAOYSA-N
XLogP0.73
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.73
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-methoxy-1H-1,2,4-triazole?
The IUPAC name of 5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methoxy-1H-1,2,4-triazole (CID 83096536) is 5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methoxy-1H-1,2,4-triazole.
What is the SMILES notation for 5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methoxy-1H-1,2,4-triazole?
The canonical SMILES for 5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methoxy-1H-1,2,4-triazole is COc1n[nH]c(NS(=O)(=O)N(C)C2CCCCC2)n1.
What is the InChIKey of 5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methoxy-1H-1,2,4-triazole?
The InChIKey is NZYVKMDKIQKXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O3S/c1-15(8-6-4-3-5-7-8)19(16,17)14-9-11-10(18-2)13-12-9/h8H,3-7H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methoxy-1H-1,2,4-triazole?
5-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methoxy-1H-1,2,4-triazole has a molecular weight of 289.36 g/mol, XLogP of 0.73, 5 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-methoxy-1H-1,2,4-triazole is sourced from PubChem (CID 83096536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).