N'-hydroxy-2,2-dimethyl-6-(2-methylsulfonylethylamino)hexanimidamide

C11H25N3O3S — CID 106710917

IUPACN'-hydroxy-2,2-dimethyl-6-(2-methylsulfonylethylamino)hexanimidamide
SMILESCC(C)(CCCCNCCS(C)(=O)=O)C(N)=NO
InChIInChI=1S/C11H25N3O3S/c1-11(2,10(12)14-15)6-4-5-7-13-8-9-18(3,16)17/h13,15H,4-9H2,1-3H3,(H2,12,14)
InChIKeyAZHIJYXSXYOGGW-UHFFFAOYSA-N
MW279.41 g/mol
LogP0.56
Rot. Bonds9

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

N'-hydroxy-2,2-dimethyl-6-(2-methylsulfonylethylamino)hexanimidamide (PubChem CID 106710917) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-6-(2-methylsulfonylethylamino)hexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-6-(2-methylsulfonylethylamino)hexanimidamide
PubChem CID106710917
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC NameN'-hydroxy-2,2-dimethyl-6-(2-methylsulfonylethylamino)hexanimidamide
SMILESCC(C)(CCCCNCCS(C)(=O)=O)C(N)=NO
InChIInChI=1S/C11H25N3O3S/c1-11(2,10(12)14-15)6-4-5-7-13-8-9-18(3,16)17/h13,15H,4-9H2,1-3H3,(H2,12,14)
InChIKeyAZHIJYXSXYOGGW-UHFFFAOYSA-N
XLogP0.56
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
N'-hydroxy-5-[3-(methanesulfonamido)propylamino]-2,2-dimethylpentanimidamide
CID 106339646
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea
CID 106711535
5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide
CID 114162300
4-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]butanamide
CID 77063642
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide
CID 106710924
3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide
CID 106711564
N'-hydroxy-2,2-dimethyl-6-(2-methylprop-2-enylamino)hexanimidamide
CID 106711655
4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981
N'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide
CID 106011954
N'-hydroxy-6-[(5-hydroxy-4-methylpentyl)amino]-2,2-dimethylhexanimidamide
CID 106161745

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-6-(2-methylsulfonylethylamino)hexanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-6-(2-methylsulfonylethylamino)hexanimidamide (CID 106710917) is N'-hydroxy-2,2-dimethyl-6-(2-methylsulfonylethylamino)hexanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-6-(2-methylsulfonylethylamino)hexanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-6-(2-methylsulfonylethylamino)hexanimidamide is CC(C)(CCCCNCCS(C)(=O)=O)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-6-(2-methylsulfonylethylamino)hexanimidamide?
The InChIKey is AZHIJYXSXYOGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-11(2,10(12)14-15)6-4-5-7-13-8-9-18(3,16)17/h13,15H,4-9H2,1-3H3,(H2,12,14).
What are the key properties of N'-hydroxy-2,2-dimethyl-6-(2-methylsulfonylethylamino)hexanimidamide?
N'-hydroxy-2,2-dimethyl-6-(2-methylsulfonylethylamino)hexanimidamide has a molecular weight of 279.41 g/mol, XLogP of 0.56, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-6-(2-methylsulfonylethylamino)hexanimidamide is sourced from PubChem (CID 106710917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).