6-(2,4-dimethylphenyl)sulfanyl-N'-hydroxy-2,2-dimethylhexanimidamide

C16H26N2OS — CID 106712686

IUPAC6-(2,4-dimethylphenyl)sulfanyl-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCc1ccc(SCCCCC(C)(C)/C(N)=N/O)c(C)c1
InChIInChI=1S/C16H26N2OS/c1-12-7-8-14(13(2)11-12)20-10-6-5-9-16(3,4)15(17)18-19/h7-8,11,19H,5-6,9-10H2,1-4H3,(H2,17,18)
InChIKeyBPUMBFKVHOAKJB-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.34
Rot. Bonds7

About 6-(2,4-dimethylphenyl)sulfanyl-N'-hydroxy-2,2-dimethylhexanimidamide

6-(2,4-dimethylphenyl)sulfanyl-N'-hydroxy-2,2-dimethylhexanimidamide (PubChem CID 106712686) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)sulfanyl-N'-hydroxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)sulfanyl-N'-hydroxy-2,2-dimethylhexanimidamide
PubChem CID106712686
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name6-(2,4-dimethylphenyl)sulfanyl-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCc1ccc(SCCCCC(C)(C)/C(N)=N/O)c(C)c1
InChIInChI=1S/C16H26N2OS/c1-12-7-8-14(13(2)11-12)20-10-6-5-9-16(3,4)15(17)18-19/h7-8,11,19H,5-6,9-10H2,1-4H3,(H2,17,18)
InChIKeyBPUMBFKVHOAKJB-UHFFFAOYSA-N
XLogP4.34
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 6-(2,4-dimethylphenyl)sulfanyl-N'-hydroxy-2,2-dimethylhexanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)sulfanyl-N'-hydroxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-(2,4-dimethylphenyl)sulfanyl-N'-hydroxy-2,2-dimethylhexanimidamide (CID 106712686) is 6-(2,4-dimethylphenyl)sulfanyl-N'-hydroxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-(2,4-dimethylphenyl)sulfanyl-N'-hydroxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-(2,4-dimethylphenyl)sulfanyl-N'-hydroxy-2,2-dimethylhexanimidamide is Cc1ccc(SCCCCC(C)(C)/C(N)=N/O)c(C)c1.
What is the InChIKey of 6-(2,4-dimethylphenyl)sulfanyl-N'-hydroxy-2,2-dimethylhexanimidamide?
The InChIKey is BPUMBFKVHOAKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-12-7-8-14(13(2)11-12)20-10-6-5-9-16(3,4)15(17)18-19/h7-8,11,19H,5-6,9-10H2,1-4H3,(H2,17,18).
What are the key properties of 6-(2,4-dimethylphenyl)sulfanyl-N'-hydroxy-2,2-dimethylhexanimidamide?
6-(2,4-dimethylphenyl)sulfanyl-N'-hydroxy-2,2-dimethylhexanimidamide has a molecular weight of 294.46 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenyl)sulfanyl-N'-hydroxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106712686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).