3-[[ethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide

C11H17N3O3S — CID 55142319

IUPAC3-[[ethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCS(=O)(=O)N(C)Cc1cccc(/C(N)=N/O)c1
InChIInChI=1S/C11H17N3O3S/c1-3-18(16,17)14(2)8-9-5-4-6-10(7-9)11(12)13-15/h4-7,15H,3,8H2,1-2H3,(H2,12,13)
InChIKeyFOZAQSHHHHIBOB-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.56
Rot. Bonds5

About 3-[[ethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide

3-[[ethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 55142319) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-[[ethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[[ethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID55142319
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name3-[[ethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCS(=O)(=O)N(C)Cc1cccc(/C(N)=N/O)c1
InChIInChI=1S/C11H17N3O3S/c1-3-18(16,17)14(2)8-9-5-4-6-10(7-9)11(12)13-15/h4-7,15H,3,8H2,1-2H3,(H2,12,13)
InChIKeyFOZAQSHHHHIBOB-UHFFFAOYSA-N
XLogP0.56
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.56
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

3-[[cyclopropylmethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77052477
N'-hydroxy-3-[[methyl(3-methylbutylsulfonyl)amino]methyl]benzenecarboximidamide
CID 77008650
N'-hydroxy-3-[[methyl(1H-pyrazol-5-ylsulfonyl)amino]methyl]benzenecarboximidamide
CID 102693860
N'-hydroxy-3-[[methyl(pentan-2-yl)amino]methyl]benzenecarboximidamide
CID 43572156
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-N-methylpentanamide
CID 76932782
1,1-diethyl-3-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-methylurea
CID 79161393
3-[[(3-chlorophenyl)methyl-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76903702
N'-hydroxy-3-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarboximidamide
CID 61424625
N'-hydroxy-3-[[2-methoxyethyl(methyl)amino]methyl]benzenecarboximidamide
CID 55135155
tert-butyl N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-N-methylcarbamate
CID 76979061
N'-hydroxy-3-(propylaminomethyl)benzenecarboximidamide
CID 77028524
N'-hydroxy-3-[(sulfamoylamino)methyl]benzenecarboximidamide
CID 114959565

Frequently Asked Questions

What is the IUPAC name of 3-[[ethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[[ethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide (CID 55142319) is 3-[[ethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[[ethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[[ethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide is CCS(=O)(=O)N(C)Cc1cccc(/C(N)=N/O)c1.
What is the InChIKey of 3-[[ethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is FOZAQSHHHHIBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-3-18(16,17)14(2)8-9-5-4-6-10(7-9)11(12)13-15/h4-7,15H,3,8H2,1-2H3,(H2,12,13).
What are the key properties of 3-[[ethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
3-[[ethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 271.34 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 55142319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).