N'-hydroxy-2-methoxy-5-(propylsulfanylmethyl)benzenecarboximidamide

C12H18N2O2S — CID 65340258

IUPACN'-hydroxy-2-methoxy-5-(propylsulfanylmethyl)benzenecarboximidamide
SMILESCCCSCc1ccc(OC)c(/C(N)=N/O)c1
InChIInChI=1S/C12H18N2O2S/c1-3-6-17-8-9-4-5-11(16-2)10(7-9)12(13)14-15/h4-5,7,15H,3,6,8H2,1-2H3,(H2,13,14)
InChIKeyFRKIHEFWZFSQOB-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.43
Rot. Bonds6

About N'-hydroxy-2-methoxy-5-(propylsulfanylmethyl)benzenecarboximidamide

N'-hydroxy-2-methoxy-5-(propylsulfanylmethyl)benzenecarboximidamide (PubChem CID 65340258) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N'-hydroxy-2-methoxy-5-(propylsulfanylmethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methoxy-5-(propylsulfanylmethyl)benzenecarboximidamide
PubChem CID65340258
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN'-hydroxy-2-methoxy-5-(propylsulfanylmethyl)benzenecarboximidamide
SMILESCCCSCc1ccc(OC)c(/C(N)=N/O)c1
InChIInChI=1S/C12H18N2O2S/c1-3-6-17-8-9-4-5-11(16-2)10(7-9)12(13)14-15/h4-5,7,15H,3,6,8H2,1-2H3,(H2,13,14)
InChIKeyFRKIHEFWZFSQOB-UHFFFAOYSA-N
XLogP2.43
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.43
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

5-(butylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77066115
2-methoxy-5-(propylsulfanylmethyl)benzenecarboximidamide
CID 65339779
N'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide
CID 77066179
N'-hydroxy-2-methoxy-5-(propylaminomethyl)benzenecarboximidamide
CID 77065913
5-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065983
N'-hydroxy-2-methoxy-5-[(2-methylsulfanylethylamino)methyl]benzenecarboximidamide
CID 65340181
N'-hydroxy-2-methoxy-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzenecarboximidamide
CID 77065947
5-[[bis(2-hydroxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065876
N'-hydroxy-2-methoxy-5-[(2-methylpentan-3-ylamino)methyl]benzenecarboximidamide
CID 77066155
N'-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 65338672
5-[(cyclopropylmethylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065912
N'-hydroxy-5-[(1-hydroxybutan-2-ylamino)methyl]-2-methoxybenzenecarboximidamide
CID 77065806

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methoxy-5-(propylsulfanylmethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methoxy-5-(propylsulfanylmethyl)benzenecarboximidamide (CID 65340258) is N'-hydroxy-2-methoxy-5-(propylsulfanylmethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methoxy-5-(propylsulfanylmethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methoxy-5-(propylsulfanylmethyl)benzenecarboximidamide is CCCSCc1ccc(OC)c(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-2-methoxy-5-(propylsulfanylmethyl)benzenecarboximidamide?
The InChIKey is FRKIHEFWZFSQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-6-17-8-9-4-5-11(16-2)10(7-9)12(13)14-15/h4-5,7,15H,3,6,8H2,1-2H3,(H2,13,14).
What are the key properties of N'-hydroxy-2-methoxy-5-(propylsulfanylmethyl)benzenecarboximidamide?
N'-hydroxy-2-methoxy-5-(propylsulfanylmethyl)benzenecarboximidamide has a molecular weight of 254.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methoxy-5-(propylsulfanylmethyl)benzenecarboximidamide is sourced from PubChem (CID 65340258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).