N'-hydroxy-3-methoxy-5-(2-propylsulfonylethoxy)benzenecarboximidamide

C13H20N2O5S — CID 106725416

IUPACN'-hydroxy-3-methoxy-5-(2-propylsulfonylethoxy)benzenecarboximidamide
SMILESCCCS(=O)(=O)CCOc1cc(OC)cc(/C(N)=N/O)c1
InChIInChI=1S/C13H20N2O5S/c1-3-5-21(17,18)6-4-20-12-8-10(13(14)15-16)7-11(9-12)19-2/h7-9,16H,3-6H2,1-2H3,(H2,14,15)
InChIKeyNMYGDEAFJLDVFY-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.99
Rot. Bonds8

About N'-hydroxy-3-methoxy-5-(2-propylsulfonylethoxy)benzenecarboximidamide

N'-hydroxy-3-methoxy-5-(2-propylsulfonylethoxy)benzenecarboximidamide (PubChem CID 106725416) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is N'-hydroxy-3-methoxy-5-(2-propylsulfonylethoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methoxy-5-(2-propylsulfonylethoxy)benzenecarboximidamide
PubChem CID106725416
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC NameN'-hydroxy-3-methoxy-5-(2-propylsulfonylethoxy)benzenecarboximidamide
SMILESCCCS(=O)(=O)CCOc1cc(OC)cc(/C(N)=N/O)c1
InChIInChI=1S/C13H20N2O5S/c1-3-5-21(17,18)6-4-20-12-8-10(13(14)15-16)7-11(9-12)19-2/h7-9,16H,3-6H2,1-2H3,(H2,14,15)
InChIKeyNMYGDEAFJLDVFY-UHFFFAOYSA-N
XLogP0.99
TPSA111.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-[3-(dimethylamino)propoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567608
N'-hydroxy-3-methoxy-5-(3-methylsulfanylpropoxy)benzenecarboximidamide
CID 103567536
4-(2-ethylsulfonylethoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 61058058
N'-hydroxy-3-methoxy-5-[2-(3-methylbutoxy)ethoxy]benzenecarboximidamide
CID 103567600
(NE)-N-[1-[4-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine
CID 106725509
2-propylsulfonylethyl 3-amino-5-methoxybenzoate
CID 106728853
3-(cyclopentylmethoxy)-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567543
N'-hydroxy-3-(3-imidazol-1-ylpropoxy)-5-methoxybenzenecarboximidamide
CID 103567567
N'-hydroxy-3-methoxy-5-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide
CID 103567506
N'-hydroxy-3-methoxy-5-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide
CID 103567501
3-[(5-chlorothiophen-2-yl)methoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567558
[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]methanol
CID 106726179

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methoxy-5-(2-propylsulfonylethoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methoxy-5-(2-propylsulfonylethoxy)benzenecarboximidamide (CID 106725416) is N'-hydroxy-3-methoxy-5-(2-propylsulfonylethoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methoxy-5-(2-propylsulfonylethoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methoxy-5-(2-propylsulfonylethoxy)benzenecarboximidamide is CCCS(=O)(=O)CCOc1cc(OC)cc(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-3-methoxy-5-(2-propylsulfonylethoxy)benzenecarboximidamide?
The InChIKey is NMYGDEAFJLDVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-3-5-21(17,18)6-4-20-12-8-10(13(14)15-16)7-11(9-12)19-2/h7-9,16H,3-6H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-3-methoxy-5-(2-propylsulfonylethoxy)benzenecarboximidamide?
N'-hydroxy-3-methoxy-5-(2-propylsulfonylethoxy)benzenecarboximidamide has a molecular weight of 316.38 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methoxy-5-(2-propylsulfonylethoxy)benzenecarboximidamide is sourced from PubChem (CID 106725416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).