N'-hydroxy-2,2-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexanimidamide

C11H20N4O2S — CID 106712726

IUPACN'-hydroxy-2,2-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexanimidamide
SMILESCc1nnc(SCCCCC(C)(C)C(N)=NO)o1
InChIInChI=1S/C11H20N4O2S/c1-8-13-14-10(17-8)18-7-5-4-6-11(2,3)9(12)15-16/h16H,4-7H2,1-3H3,(H2,12,15)
InChIKeyGFRCFZDXUQBMPH-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.41
Rot. Bonds7

About N'-hydroxy-2,2-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexanimidamide

N'-hydroxy-2,2-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexanimidamide (PubChem CID 106712726) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexanimidamide
PubChem CID106712726
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN'-hydroxy-2,2-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexanimidamide
SMILESCc1nnc(SCCCCC(C)(C)C(N)=NO)o1
InChIInChI=1S/C11H20N4O2S/c1-8-13-14-10(17-8)18-7-5-4-6-11(2,3)9(12)15-16/h16H,4-7H2,1-3H3,(H2,12,15)
InChIKeyGFRCFZDXUQBMPH-UHFFFAOYSA-N
XLogP2.41
TPSA97.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N'-hydroxy-2,2-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexanimidamide 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 N'-hydroxy-2,2-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexanimidamide (CID 106712726) is N'-hydroxy-2,2-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexanimidamide is Cc1nnc(SCCCCC(C)(C)C(N)=NO)o1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexanimidamide?
The InChIKey is GFRCFZDXUQBMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-8-13-14-10(17-8)18-7-5-4-6-11(2,3)9(12)15-16/h16H,4-7H2,1-3H3,(H2,12,15).
What are the key properties of N'-hydroxy-2,2-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexanimidamide?
N'-hydroxy-2,2-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexanimidamide has a molecular weight of 272.37 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexanimidamide is sourced from PubChem (CID 106712726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).