N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide

C11H16N2OS — CID 43125829

IUPACN'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide
SMILESCC(C)CSc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C11H16N2OS/c1-8(2)7-15-10-5-3-9(4-6-10)11(12)13-14/h3-6,8,14H,7H2,1-2H3,(H2,12,13)
InChIKeyPMKZYGAXJPASLY-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.53
Rot. Bonds4

About N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide

N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide (PubChem CID 43125829) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide
PubChem CID43125829
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide
SMILESCC(C)CSc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C11H16N2OS/c1-8(2)7-15-10-5-3-9(4-6-10)11(12)13-14/h3-6,8,14H,7H2,1-2H3,(H2,12,13)
InChIKeyPMKZYGAXJPASLY-UHFFFAOYSA-N
XLogP2.53
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-(2,3-dihydroxypropylsulfanyl)-N'-hydroxybenzenecarboximidamide
CID 79683151
N'-hydroxy-4-(2-methylpropylsulfanylmethyl)benzenecarboximidamide
CID 43125837
N'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide
CID 96670524
4-(2-methylpropylsulfanyl)benzoic acid
CID 16793794
N'-hydroxy-4-(1-hydroxyethyl)benzenecarboximidamide
CID 123169234
N'-hydroxy-4-[1-(methylamino)ethyl]benzenecarboximidamide
CID 135313208
N'-hydroxy-4-(1-methoxyethyl)benzenecarboximidamide
CID 146558582
N'-hydroxy-2-(2-methylpropylsulfanyl)-6-methylsulfanylbenzenecarboximidamide
CID 113385916
N'-hydroxy-3-(2-methylpropylsulfanylmethyl)benzenecarboximidamide
CID 43125833
N'-hydroxy-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzenecarboximidamide
CID 112660110
N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 135407879
4-(2-fluoropropylsulfanyl)benzamide
CID 155718332

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide (CID 43125829) is N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide is CC(C)CSc1ccc(/C(N)=N/O)cc1.
What is the InChIKey of N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide?
The InChIKey is PMKZYGAXJPASLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8(2)7-15-10-5-3-9(4-6-10)11(12)13-14/h3-6,8,14H,7H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide?
N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide has a molecular weight of 224.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 43125829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).