N'-hydroxy-4-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzenecarboximidamide

C14H23N3O2S — CID 115985964

IUPACN'-hydroxy-4-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzenecarboximidamide
SMILESCSCC(C)N(C)CCOc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C14H23N3O2S/c1-11(10-20-3)17(2)8-9-19-13-6-4-12(5-7-13)14(15)16-18/h4-7,11,18H,8-10H2,1-3H3,(H2,15,16)
InChIKeyIDSBHSPDKLZRCQ-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.84
Rot. Bonds8

About N'-hydroxy-4-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzenecarboximidamide

N'-hydroxy-4-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzenecarboximidamide (PubChem CID 115985964) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N'-hydroxy-4-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzenecarboximidamide
PubChem CID115985964
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN'-hydroxy-4-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzenecarboximidamide
SMILESCSCC(C)N(C)CCOc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C14H23N3O2S/c1-11(10-20-3)17(2)8-9-19-13-6-4-12(5-7-13)14(15)16-18/h4-7,11,18H,8-10H2,1-3H3,(H2,15,16)
InChIKeyIDSBHSPDKLZRCQ-UHFFFAOYSA-N
XLogP1.84
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-4-[2-[methyl(pentan-3-yl)amino]ethoxy]benzenecarboximidamide
CID 61301180
N'-hydroxy-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzenecarboximidamide
CID 112660110
2-[4-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]phenyl]ethanethioamide
CID 115985922
N'-hydroxy-4-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]benzenecarboximidamide
CID 82939708
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
3-[4-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]phenyl]prop-2-yn-1-ol
CID 115987091
N'-hydroxy-4-[2-[(2-methyl-3-methylsulfanylpropyl)amino]ethoxy]benzenecarboximidamide
CID 77027442
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
4-[2-(dimethylamino)ethoxy]-N'-hydroxybenzenecarboximidamide;2-(4-isocyanophenoxy)-N,N-dimethylethanamine
CID 172973820
N'-hydroxy-4-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]benzenecarboximidamide
CID 61298660
4-[2-[cyclopentyl(methyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61299834
N'-hydroxy-4-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide
CID 61300990

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzenecarboximidamide (CID 115985964) is N'-hydroxy-4-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzenecarboximidamide is CSCC(C)N(C)CCOc1ccc(/C(N)=N/O)cc1.
What is the InChIKey of N'-hydroxy-4-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzenecarboximidamide?
The InChIKey is IDSBHSPDKLZRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11(10-20-3)17(2)8-9-19-13-6-4-12(5-7-13)14(15)16-18/h4-7,11,18H,8-10H2,1-3H3,(H2,15,16).
What are the key properties of N'-hydroxy-4-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzenecarboximidamide?
N'-hydroxy-4-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzenecarboximidamide has a molecular weight of 297.42 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzenecarboximidamide is sourced from PubChem (CID 115985964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).