N'-hydroxy-2,2-dimethyl-6-(4-methylsulfanylanilino)hexanimidamide

C15H25N3OS — CID 106710965

IUPACN'-hydroxy-2,2-dimethyl-6-(4-methylsulfanylanilino)hexanimidamide
SMILESCSc1ccc(NCCCCC(C)(C)/C(N)=N/O)cc1
InChIInChI=1S/C15H25N3OS/c1-15(2,14(16)18-19)10-4-5-11-17-12-6-8-13(20-3)9-7-12/h6-9,17,19H,4-5,10-11H2,1-3H3,(H2,16,18)
InChIKeyLKBBTMOIWVISLD-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.76
Rot. Bonds8

About N'-hydroxy-2,2-dimethyl-6-(4-methylsulfanylanilino)hexanimidamide

N'-hydroxy-2,2-dimethyl-6-(4-methylsulfanylanilino)hexanimidamide (PubChem CID 106710965) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-6-(4-methylsulfanylanilino)hexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-6-(4-methylsulfanylanilino)hexanimidamide
PubChem CID106710965
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC NameN'-hydroxy-2,2-dimethyl-6-(4-methylsulfanylanilino)hexanimidamide
SMILESCSc1ccc(NCCCCC(C)(C)/C(N)=N/O)cc1
InChIInChI=1S/C15H25N3OS/c1-15(2,14(16)18-19)10-4-5-11-17-12-6-8-13(20-3)9-7-12/h6-9,17,19H,4-5,10-11H2,1-3H3,(H2,16,18)
InChIKeyLKBBTMOIWVISLD-UHFFFAOYSA-N
XLogP3.76
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

N'-hydroxy-2,2-dimethyl-4-(4-methylsulfanylanilino)butanimidamide
CID 77061906
6-(3-fluoro-4-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711027
5-(3,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063963
5-(3-bromo-4-fluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 104779738
5-(4-fluoro-3-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063562
N'-hydroxy-2,2-dimethyl-6-(2,4,5-trifluoroanilino)hexanimidamide
CID 106711134
5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063764
N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide
CID 106710924
4-(3,4-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061870
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
N'-hydroxy-5-(3-methoxyanilino)-2,2-dimethylpentanimidamide
CID 77063510
5-(3-ethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063928

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-6-(4-methylsulfanylanilino)hexanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-6-(4-methylsulfanylanilino)hexanimidamide (CID 106710965) is N'-hydroxy-2,2-dimethyl-6-(4-methylsulfanylanilino)hexanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-6-(4-methylsulfanylanilino)hexanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-6-(4-methylsulfanylanilino)hexanimidamide is CSc1ccc(NCCCCC(C)(C)/C(N)=N/O)cc1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-6-(4-methylsulfanylanilino)hexanimidamide?
The InChIKey is LKBBTMOIWVISLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-15(2,14(16)18-19)10-4-5-11-17-12-6-8-13(20-3)9-7-12/h6-9,17,19H,4-5,10-11H2,1-3H3,(H2,16,18).
What are the key properties of N'-hydroxy-2,2-dimethyl-6-(4-methylsulfanylanilino)hexanimidamide?
N'-hydroxy-2,2-dimethyl-6-(4-methylsulfanylanilino)hexanimidamide has a molecular weight of 295.45 g/mol, XLogP of 3.76, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-6-(4-methylsulfanylanilino)hexanimidamide is sourced from PubChem (CID 106710965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).