N'-hydroxy-2-(2-methylsulfanylethoxy)benzenecarboximidamide

C10H14N2O2S — CID 115597531

IUPACN'-hydroxy-2-(2-methylsulfanylethoxy)benzenecarboximidamide
SMILESCSCCOc1ccccc1/C(N)=N/O
InChIInChI=1S/C10H14N2O2S/c1-15-7-6-14-9-5-3-2-4-8(9)10(11)12-13/h2-5,13H,6-7H2,1H3,(H2,11,12)
InChIKeyQJULFKKMBOKEST-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.52
Rot. Bonds5

About N'-hydroxy-2-(2-methylsulfanylethoxy)benzenecarboximidamide

N'-hydroxy-2-(2-methylsulfanylethoxy)benzenecarboximidamide (PubChem CID 115597531) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N'-hydroxy-2-(2-methylsulfanylethoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-methylsulfanylethoxy)benzenecarboximidamide
PubChem CID115597531
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN'-hydroxy-2-(2-methylsulfanylethoxy)benzenecarboximidamide
SMILESCSCCOc1ccccc1/C(N)=N/O
InChIInChI=1S/C10H14N2O2S/c1-15-7-6-14-9-5-3-2-4-8(9)10(11)12-13/h2-5,13H,6-7H2,1H3,(H2,11,12)
InChIKeyQJULFKKMBOKEST-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-ethylsulfonylethoxy)-N'-hydroxybenzenecarboximidamide
CID 54914844
N'-hydroxy-2-(2-propoxyphenoxy)benzenecarboximidamide
CID 43200019
2-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide
CID 79679575
2-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 61028883
N-[1-[2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine
CID 79221819
N-ethyl-2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetamide
CID 43155983
2-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24706233
N'-hydroxy-2-phenoxybenzenecarboximidamide
CID 51603436
2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methoxypropyl)acetamide
CID 43156183
2-[(5-bromo-3-pyridinyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 104797666
2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 43332989
N'-hydroxy-2-[(6-methoxy-2-pyridinyl)methoxy]benzenecarboximidamide
CID 77014500

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-methylsulfanylethoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-(2-methylsulfanylethoxy)benzenecarboximidamide (CID 115597531) is N'-hydroxy-2-(2-methylsulfanylethoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-(2-methylsulfanylethoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-(2-methylsulfanylethoxy)benzenecarboximidamide is CSCCOc1ccccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-(2-methylsulfanylethoxy)benzenecarboximidamide?
The InChIKey is QJULFKKMBOKEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-15-7-6-14-9-5-3-2-4-8(9)10(11)12-13/h2-5,13H,6-7H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-(2-methylsulfanylethoxy)benzenecarboximidamide?
N'-hydroxy-2-(2-methylsulfanylethoxy)benzenecarboximidamide has a molecular weight of 226.30 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-methylsulfanylethoxy)benzenecarboximidamide is sourced from PubChem (CID 115597531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).