2-bromo-4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxybenzenecarboximidamide

C13H18BrN3OS — CID 107278745

IUPAC2-bromo-4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxybenzenecarboximidamide
SMILESCC1CN(c2ccc(/C(N)=N/O)c(Br)c2)CC(C)S1
InChIInChI=1S/C13H18BrN3OS/c1-8-6-17(7-9(2)19-8)10-3-4-11(12(14)5-10)13(15)16-18/h3-5,8-9,18H,6-7H2,1-2H3,(H2,15,16)
InChIKeyQFFGCRWIXYFALE-UHFFFAOYSA-N
MW344.28 g/mol
LogP2.87
Rot. Bonds2

About 2-bromo-4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxybenzenecarboximidamide

2-bromo-4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxybenzenecarboximidamide (PubChem CID 107278745) has the molecular formula C13H18BrN3OS and a molecular weight of 344.28 g/mol. Its IUPAC name is 2-bromo-4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxybenzenecarboximidamide
PubChem CID107278745
Molecular FormulaC13H18BrN3OS
Molecular Weight344.28 g/mol
Exact Mass343.04
IUPAC Name2-bromo-4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxybenzenecarboximidamide
SMILESCC1CN(c2ccc(/C(N)=N/O)c(Br)c2)CC(C)S1
InChIInChI=1S/C13H18BrN3OS/c1-8-6-17(7-9(2)19-8)10-3-4-11(12(14)5-10)13(15)16-18/h3-5,8-9,18H,6-7H2,1-2H3,(H2,15,16)
InChIKeyQFFGCRWIXYFALE-UHFFFAOYSA-N
XLogP2.87
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-bromo-N'-hydroxy-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 107278827
2-bromo-N'-hydroxy-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 107278802
2-bromo-N'-hydroxy-4-[3-(hydroxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 107278801
2-bromo-4-(2,5-dimethylmorpholin-4-yl)-N'-hydroxybenzenecarboximidamide
CID 107278566
2-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N'-hydroxybenzenecarboximidamide
CID 107278520
2-bromo-N'-hydroxy-4-(4-propan-2-ylazepan-1-yl)benzenecarboximidamide
CID 107278750
2-bromo-N'-hydroxy-4-(4-propylazepan-1-yl)benzenecarboximidamide
CID 107278749
2-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide
CID 77020684
2-bromo-4-(2-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 107278551
2-bromo-N'-hydroxy-4-(3-methylpyrazol-1-yl)benzenecarboximidamide
CID 107278872
2-bromo-4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 107278710
3-chloro-4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxybenzenecarboximidamide
CID 77020681

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-bromo-4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxybenzenecarboximidamide (CID 107278745) is 2-bromo-4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxybenzenecarboximidamide is CC1CN(c2ccc(/C(N)=N/O)c(Br)c2)CC(C)S1.
What is the InChIKey of 2-bromo-4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is QFFGCRWIXYFALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3OS/c1-8-6-17(7-9(2)19-8)10-3-4-11(12(14)5-10)13(15)16-18/h3-5,8-9,18H,6-7H2,1-2H3,(H2,15,16).
What are the key properties of 2-bromo-4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxybenzenecarboximidamide?
2-bromo-4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 344.28 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107278745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).