N'-hydroxy-4-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide

C11H17N3OS — CID 112660005

IUPACN'-hydroxy-4-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide
SMILESCSCCN(C)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C11H17N3OS/c1-14(7-8-16-2)10-5-3-9(4-6-10)11(12)13-15/h3-6,15H,7-8H2,1-2H3,(H2,12,13)
InChIKeyCDFJIUUIGUYGQY-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.58
Rot. Bonds5

About N'-hydroxy-4-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide

N'-hydroxy-4-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide (PubChem CID 112660005) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N'-hydroxy-4-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide
PubChem CID112660005
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN'-hydroxy-4-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide
SMILESCSCCN(C)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C11H17N3OS/c1-14(7-8-16-2)10-5-3-9(4-6-10)11(12)13-15/h3-6,15H,7-8H2,1-2H3,(H2,12,13)
InChIKeyCDFJIUUIGUYGQY-UHFFFAOYSA-N
XLogP1.58
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.58
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-bromo-N'-hydroxy-4-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide
CID 112660033
2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methyl-N-(2-methylsulfanylethyl)acetamide
CID 112663195
N'-hydroxy-5-methyl-2-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide
CID 114017229
N'-hydroxy-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzenecarboximidamide
CID 79267976
4-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)aniline
CID 112661837
N'-hydroxy-5-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide
CID 136863160
4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 60981592
N'-hydroxy-4-[methyl(2-methylbutan-2-yl)amino]benzenecarboximidamide
CID 77014182
N'-hydroxy-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzenecarboximidamide
CID 112660110
N'-hydroxy-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarboximidamide
CID 79314161
4-[(2-chloro-4-methylphenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 106863831
4-[(5-bromo-2-pyridinyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 104797612

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide (CID 112660005) is N'-hydroxy-4-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide is CSCCN(C)c1ccc(/C(N)=N/O)cc1.
What is the InChIKey of N'-hydroxy-4-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide?
The InChIKey is CDFJIUUIGUYGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-14(7-8-16-2)10-5-3-9(4-6-10)11(12)13-15/h3-6,15H,7-8H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-4-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide?
N'-hydroxy-4-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide has a molecular weight of 239.34 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 112660005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).