N'-hydroxy-2-(2-methylsulfanylphenoxy)propanimidamide

C10H14N2O2S — CID 77003399

IUPACN'-hydroxy-2-(2-methylsulfanylphenoxy)propanimidamide
SMILESCSc1ccccc1OC(C)C(N)=NO
InChIInChI=1S/C10H14N2O2S/c1-7(10(11)12-13)14-8-5-3-4-6-9(8)15-2/h3-7,13H,1-2H3,(H2,11,12)
InChIKeyYYMQMKCOEXKTNI-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.92
Rot. Bonds4

About N'-hydroxy-2-(2-methylsulfanylphenoxy)propanimidamide

N'-hydroxy-2-(2-methylsulfanylphenoxy)propanimidamide (PubChem CID 77003399) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N'-hydroxy-2-(2-methylsulfanylphenoxy)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-methylsulfanylphenoxy)propanimidamide
PubChem CID77003399
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN'-hydroxy-2-(2-methylsulfanylphenoxy)propanimidamide
SMILESCSc1ccccc1OC(C)C(N)=NO
InChIInChI=1S/C10H14N2O2S/c1-7(10(11)12-13)14-8-5-3-4-6-9(8)15-2/h3-7,13H,1-2H3,(H2,11,12)
InChIKeyYYMQMKCOEXKTNI-UHFFFAOYSA-N
XLogP1.92
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.92
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-(2-ethylphenoxy)-N'-hydroxypropanimidamide
CID 76915107
2-(9H-carbazol-4-yloxy)-N'-hydroxypropanimidamide
CID 3070308
2-(2-methylsulfanylphenoxy)propan-1-amine
CID 63648328
2-[(2,3-dimethyl-1-benzofuran-7-yl)oxy]-N'-hydroxypropanimidamide;hydrobromide
CID 88841673
1-(4-methylphenyl)-2-(2-methylsulfanylphenoxy)propan-1-one
CID 63647844
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methylsulfanylbenzamide
CID 79206171
N'-hydroxy-2-naphthalen-2-yloxypropanimidamide;hydrochloride
CID 160507416
2-(2,4-dibromophenoxy)-N'-hydroxypropanimidamide
CID 77055072
(2R)-2-(2,4-dichlorophenoxy)-N'-hydroxypropanimidamide
CID 7222417
N'-hydroxy-2-methyl-4-(2-methylsulfanylphenoxy)benzenecarboximidamide
CID 81277531
N'-hydroxy-2-(2,3,4,5,6-pentafluorophenoxy)propanimidamide
CID 76915183
(2-methylsulfanylphenyl) hypoiodite
CID 144554638

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-methylsulfanylphenoxy)propanimidamide?
The IUPAC name of N'-hydroxy-2-(2-methylsulfanylphenoxy)propanimidamide (CID 77003399) is N'-hydroxy-2-(2-methylsulfanylphenoxy)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2-methylsulfanylphenoxy)propanimidamide?
The canonical SMILES for N'-hydroxy-2-(2-methylsulfanylphenoxy)propanimidamide is CSc1ccccc1OC(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(2-methylsulfanylphenoxy)propanimidamide?
The InChIKey is YYMQMKCOEXKTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7(10(11)12-13)14-8-5-3-4-6-9(8)15-2/h3-7,13H,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-(2-methylsulfanylphenoxy)propanimidamide?
N'-hydroxy-2-(2-methylsulfanylphenoxy)propanimidamide has a molecular weight of 226.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-methylsulfanylphenoxy)propanimidamide is sourced from PubChem (CID 77003399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).