N'-hydroxy-3-(2-methoxyethylsulfanylmethyl)benzenecarboximidamide

C11H16N2O2S — CID 43446126

IUPACN'-hydroxy-3-(2-methoxyethylsulfanylmethyl)benzenecarboximidamide
SMILESCOCCSCc1cccc(/C(N)=N/O)c1
InChIInChI=1S/C11H16N2O2S/c1-15-5-6-16-8-9-3-2-4-10(7-9)11(12)13-14/h2-4,7,14H,5-6,8H2,1H3,(H2,12,13)
InChIKeySXVLIHCCOYAPIL-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.66
Rot. Bonds6

About N'-hydroxy-3-(2-methoxyethylsulfanylmethyl)benzenecarboximidamide

N'-hydroxy-3-(2-methoxyethylsulfanylmethyl)benzenecarboximidamide (PubChem CID 43446126) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N'-hydroxy-3-(2-methoxyethylsulfanylmethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(2-methoxyethylsulfanylmethyl)benzenecarboximidamide
PubChem CID43446126
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN'-hydroxy-3-(2-methoxyethylsulfanylmethyl)benzenecarboximidamide
SMILESCOCCSCc1cccc(/C(N)=N/O)c1
InChIInChI=1S/C11H16N2O2S/c1-15-5-6-16-8-9-3-2-4-10(7-9)11(12)13-14/h2-4,7,14H,5-6,8H2,1H3,(H2,12,13)
InChIKeySXVLIHCCOYAPIL-UHFFFAOYSA-N
XLogP1.66
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.66
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

N'-hydroxy-3-(2-methylpropylsulfanylmethyl)benzenecarboximidamide
CID 43125833
N'-hydroxy-3-[[2-methoxyethyl(methyl)amino]methyl]benzenecarboximidamide
CID 55135155
N'-hydroxy-3-[[3-(methoxymethyl)anilino]methyl]benzenecarboximidamide
CID 77031597
3-bromo-N'-hydroxy-4-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 82799158
3-(2-butoxyethoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 43128365
N'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide
CID 24699055
(E)-3-[3-(2-methoxyethylsulfanylmethyl)phenyl]prop-2-enoic acid
CID 94233225
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 57368832
3-[(2,5-difluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide
CID 43519045
2-[3-(N'-hydroxycarbamimidoyl)phenyl]acetic acid
CID 90990640
3-chloro-N'-hydroxy-4-[(3-methylphenyl)methylsulfanylmethyl]benzenecarboximidamide
CID 102668485
N'-hydroxy-3-[[2-(methoxymethyl)anilino]methyl]benzenecarboximidamide
CID 77031477

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(2-methoxyethylsulfanylmethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-(2-methoxyethylsulfanylmethyl)benzenecarboximidamide (CID 43446126) is N'-hydroxy-3-(2-methoxyethylsulfanylmethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-(2-methoxyethylsulfanylmethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-(2-methoxyethylsulfanylmethyl)benzenecarboximidamide is COCCSCc1cccc(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-3-(2-methoxyethylsulfanylmethyl)benzenecarboximidamide?
The InChIKey is SXVLIHCCOYAPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-15-5-6-16-8-9-3-2-4-10(7-9)11(12)13-14/h2-4,7,14H,5-6,8H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-(2-methoxyethylsulfanylmethyl)benzenecarboximidamide?
N'-hydroxy-3-(2-methoxyethylsulfanylmethyl)benzenecarboximidamide has a molecular weight of 240.33 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(2-methoxyethylsulfanylmethyl)benzenecarboximidamide is sourced from PubChem (CID 43446126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).