N'-hydroxy-3-methyl-2-propylsulfanylbenzenecarboximidamide

C11H16N2OS — CID 107110903

IUPACN'-hydroxy-3-methyl-2-propylsulfanylbenzenecarboximidamide
SMILESCCCSc1c(C)cccc1/C(N)=N/O
InChIInChI=1S/C11H16N2OS/c1-3-7-15-10-8(2)5-4-6-9(10)11(12)13-14/h4-6,14H,3,7H2,1-2H3,(H2,12,13)
InChIKeyDRUXEKIRHHICLC-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.59
Rot. Bonds4

About N'-hydroxy-3-methyl-2-propylsulfanylbenzenecarboximidamide

N'-hydroxy-3-methyl-2-propylsulfanylbenzenecarboximidamide (PubChem CID 107110903) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N'-hydroxy-3-methyl-2-propylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methyl-2-propylsulfanylbenzenecarboximidamide
PubChem CID107110903
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN'-hydroxy-3-methyl-2-propylsulfanylbenzenecarboximidamide
SMILESCCCSc1c(C)cccc1/C(N)=N/O
InChIInChI=1S/C11H16N2OS/c1-3-7-15-10-8(2)5-4-6-9(10)11(12)13-14/h4-6,14H,3,7H2,1-2H3,(H2,12,13)
InChIKeyDRUXEKIRHHICLC-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
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'}

Analyze N'-hydroxy-3-methyl-2-propylsulfanylbenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butylsulfanyl-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107110916
2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107110977
N'-hydroxy-3-methyl-2-[methyl(propyl)amino]benzenecarboximidamide
CID 107109142
N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide
CID 88561585
2-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107110958
2-(2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200038
N'-hydroxy-3-methyl-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide
CID 107110933
2-[2-(dimethylamino)ethyl-propylamino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109308
2-butyl-N'-hydroxybenzenecarboximidamide
CID 141269238
N'-hydroxy-2,6-dimethylbenzenecarboximidamide
CID 6299742
2-(2-butoxyethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109715
N'-hydroxy-3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 107109273

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methyl-2-propylsulfanylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methyl-2-propylsulfanylbenzenecarboximidamide (CID 107110903) is N'-hydroxy-3-methyl-2-propylsulfanylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methyl-2-propylsulfanylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methyl-2-propylsulfanylbenzenecarboximidamide is CCCSc1c(C)cccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-methyl-2-propylsulfanylbenzenecarboximidamide?
The InChIKey is DRUXEKIRHHICLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-3-7-15-10-8(2)5-4-6-9(10)11(12)13-14/h4-6,14H,3,7H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-methyl-2-propylsulfanylbenzenecarboximidamide?
N'-hydroxy-3-methyl-2-propylsulfanylbenzenecarboximidamide has a molecular weight of 224.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methyl-2-propylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 107110903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).