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

C13H19N3O3S — CID 77052477

IUPAC3-[[cyclopropylmethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCN(Cc1cccc(C(N)=NO)c1)S(=O)(=O)CC1CC1
InChIInChI=1S/C13H19N3O3S/c1-16(20(18,19)9-10-5-6-10)8-11-3-2-4-12(7-11)13(14)15-17/h2-4,7,10,17H,5-6,8-9H2,1H3,(H2,14,15)
InChIKeyWAZXHWXWTKAUMI-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.95
Rot. Bonds6

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

3-[[cyclopropylmethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 77052477) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-[[cyclopropylmethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[[cyclopropylmethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID77052477
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name3-[[cyclopropylmethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCN(Cc1cccc(C(N)=NO)c1)S(=O)(=O)CC1CC1
InChIInChI=1S/C13H19N3O3S/c1-16(20(18,19)9-10-5-6-10)8-11-3-2-4-12(7-11)13(14)15-17/h2-4,7,10,17H,5-6,8-9H2,1H3,(H2,14,15)
InChIKeyWAZXHWXWTKAUMI-UHFFFAOYSA-N
XLogP0.95
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.95
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'}

Analyze 3-[[cyclopropylmethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[ethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 55142319
N'-hydroxy-3-[[methyl(3-methylbutylsulfonyl)amino]methyl]benzenecarboximidamide
CID 77008650
N-[(3-cyanophenyl)methyl]-1-cyclopropyl-N-methylmethanesulfonamide
CID 64987558
N'-hydroxy-3-[[methyl(1H-pyrazol-5-ylsulfonyl)amino]methyl]benzenecarboximidamide
CID 102693860
N-[(3-aminophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 55175662
3-[[(3-chlorophenyl)methyl-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76903702
N'-hydroxy-3-[[2-methoxyethyl(methyl)amino]methyl]benzenecarboximidamide
CID 55135155
1,1-diethyl-3-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-methylurea
CID 79161393
N'-hydroxy-3-[(sulfamoylamino)methyl]benzenecarboximidamide
CID 114959565
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76904078
3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 76910073
N'-hydroxy-3-[[methyl(pentan-2-yl)amino]methyl]benzenecarboximidamide
CID 43572156

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropylmethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[[cyclopropylmethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide (CID 77052477) is 3-[[cyclopropylmethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[[cyclopropylmethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[[cyclopropylmethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide is CN(Cc1cccc(C(N)=NO)c1)S(=O)(=O)CC1CC1.
What is the InChIKey of 3-[[cyclopropylmethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is WAZXHWXWTKAUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-16(20(18,19)9-10-5-6-10)8-11-3-2-4-12(7-11)13(14)15-17/h2-4,7,10,17H,5-6,8-9H2,1H3,(H2,14,15).
What are the key properties of 3-[[cyclopropylmethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
3-[[cyclopropylmethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 297.38 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropylmethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77052477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).