3-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide

C10H19BrN6O3S — CID 106468313

IUPAC3-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C)CN(CCC(N)=NO)S(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C10H19BrN6O3S/c1-7(2)6-17(5-4-8(12)14-18)21(19,20)10-9(11)13-15-16(10)3/h7,18H,4-6H2,1-3H3,(H2,12,14)
InChIKeyGVZYLEXLOMOCIF-UHFFFAOYSA-N
MW383.27 g/mol
LogP0.36
Rot. Bonds7

About 3-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide

3-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide (PubChem CID 106468313) has the molecular formula C10H19BrN6O3S and a molecular weight of 383.27 g/mol. Its IUPAC name is 3-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
PubChem CID106468313
Molecular FormulaC10H19BrN6O3S
Molecular Weight383.27 g/mol
Exact Mass382.04
IUPAC Name3-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C)CN(CCC(N)=NO)S(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C10H19BrN6O3S/c1-7(2)6-17(5-4-8(12)14-18)21(19,20)10-9(11)13-15-16(10)3/h7,18H,4-6H2,1-3H3,(H2,12,14)
InChIKeyGVZYLEXLOMOCIF-UHFFFAOYSA-N
XLogP0.36
TPSA126.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-3-[2-methylpropyl(methylsulfonyl)amino]propanimidamide
CID 76917335
methyl 2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-propylamino]acetate
CID 106467198
N'-hydroxy-3-[2-methylpropyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]propanimidamide
CID 103415668
5-bromo-N-ethyl-N-(2-ethylbutyl)-3-methyltriazole-4-sulfonamide
CID 106467629
5-bromo-N-cyclopropyl-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide
CID 106467721
3-[ethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 104978381
5-bromo-N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide
CID 106467538
5-bromo-3-methyl-N-prop-2-enyl-N-propyltriazole-4-sulfonamide
CID 106468130
3-[(3-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917370
5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methyltriazole-4-sulfonamide
CID 103354592
3-[(5-chloro-4-methylthiophen-2-yl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 103100639
2-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 106467757

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide (CID 106468313) is 3-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide is CC(C)CN(CCC(N)=NO)S(=O)(=O)c1c(Br)nnn1C.
What is the InChIKey of 3-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is GVZYLEXLOMOCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN6O3S/c1-7(2)6-17(5-4-8(12)14-18)21(19,20)10-9(11)13-15-16(10)3/h7,18H,4-6H2,1-3H3,(H2,12,14).
What are the key properties of 3-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
3-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 383.27 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-methyltriazol-4-yl)sulfonyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 106468313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).