N'-hydroxy-3-(4-methoxyphenyl)sulfanylpropanimidamide

C10H14N2O2S — CID 43187755

IUPACN'-hydroxy-3-(4-methoxyphenyl)sulfanylpropanimidamide
SMILESCOc1ccc(SCC/C(N)=N/O)cc1
InChIInChI=1S/C10H14N2O2S/c1-14-8-2-4-9(5-3-8)15-7-6-10(11)12-13/h2-5,13H,6-7H2,1H3,(H2,11,12)
InChIKeyDBJOBYLAXYQVBJ-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.92
Rot. Bonds5

About N'-hydroxy-3-(4-methoxyphenyl)sulfanylpropanimidamide

N'-hydroxy-3-(4-methoxyphenyl)sulfanylpropanimidamide (PubChem CID 43187755) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N'-hydroxy-3-(4-methoxyphenyl)sulfanylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(4-methoxyphenyl)sulfanylpropanimidamide
PubChem CID43187755
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN'-hydroxy-3-(4-methoxyphenyl)sulfanylpropanimidamide
SMILESCOc1ccc(SCC/C(N)=N/O)cc1
InChIInChI=1S/C10H14N2O2S/c1-14-8-2-4-9(5-3-8)15-7-6-10(11)12-13/h2-5,13H,6-7H2,1H3,(H2,11,12)
InChIKeyDBJOBYLAXYQVBJ-UHFFFAOYSA-N
XLogP1.92
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

N'-hydroxy-3-(4-methoxyphenyl)propanimidamide
CID 77069671
4-(4-methoxyphenyl)sulfanylbutan-2-one
CID 11789059
N'-hydroxy-5-[(4-methoxyphenyl)methoxy]pentanimidamide
CID 54965654
N'-hydroxy-5-(4-propan-2-ylphenyl)sulfanylpentanimidamide
CID 54966132
4-(4-methoxyphenyl)sulfanyl-2-methylbutan-2-amine
CID 117032804
N'-hydroxy-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentanimidamide
CID 76905937
3-(2-bromo-4-methoxyphenoxy)-N'-hydroxypropanimidamide
CID 104707785
6-(4-methoxyphenyl)sulfanylhexanoic acid
CID 24797502
3-(3-chlorophenyl)sulfanyl-N'-hydroxypropanimidamide
CID 76947617
N'-hydroxy-3-[2-methoxyethyl(2-phenylsulfanylethyl)amino]propanimidamide
CID 79222130
N-(1-amino-2-methylpropan-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride
CID 119521442
N'-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]butanimidamide
CID 61420527

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(4-methoxyphenyl)sulfanylpropanimidamide?
The IUPAC name of N'-hydroxy-3-(4-methoxyphenyl)sulfanylpropanimidamide (CID 43187755) is N'-hydroxy-3-(4-methoxyphenyl)sulfanylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(4-methoxyphenyl)sulfanylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-(4-methoxyphenyl)sulfanylpropanimidamide is COc1ccc(SCC/C(N)=N/O)cc1.
What is the InChIKey of N'-hydroxy-3-(4-methoxyphenyl)sulfanylpropanimidamide?
The InChIKey is DBJOBYLAXYQVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-14-8-2-4-9(5-3-8)15-7-6-10(11)12-13/h2-5,13H,6-7H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-(4-methoxyphenyl)sulfanylpropanimidamide?
N'-hydroxy-3-(4-methoxyphenyl)sulfanylpropanimidamide has a molecular weight of 226.30 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(4-methoxyphenyl)sulfanylpropanimidamide is sourced from PubChem (CID 43187755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).