N'-hydroxy-2,2-dimethyl-6-(3-methylsulfinylbutylamino)hexanimidamide

C13H29N3O2S — CID 106711613

IUPACN'-hydroxy-2,2-dimethyl-6-(3-methylsulfinylbutylamino)hexanimidamide
SMILESCC(CCNCCCCC(C)(C)C(N)=NO)S(C)=O
InChIInChI=1S/C13H29N3O2S/c1-11(19(4)18)7-10-15-9-6-5-8-13(2,3)12(14)16-17/h11,15,17H,5-10H2,1-4H3,(H2,14,16)
InChIKeyWROHIIVSKDPCRO-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.68
Rot. Bonds10

About N'-hydroxy-2,2-dimethyl-6-(3-methylsulfinylbutylamino)hexanimidamide

N'-hydroxy-2,2-dimethyl-6-(3-methylsulfinylbutylamino)hexanimidamide (PubChem CID 106711613) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-6-(3-methylsulfinylbutylamino)hexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-6-(3-methylsulfinylbutylamino)hexanimidamide
PubChem CID106711613
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC NameN'-hydroxy-2,2-dimethyl-6-(3-methylsulfinylbutylamino)hexanimidamide
SMILESCC(CCNCCCCC(C)(C)C(N)=NO)S(C)=O
InChIInChI=1S/C13H29N3O2S/c1-11(19(4)18)7-10-15-9-6-5-8-13(2,3)12(14)16-17/h11,15,17H,5-10H2,1-4H3,(H2,14,16)
InChIKeyWROHIIVSKDPCRO-UHFFFAOYSA-N
XLogP1.68
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.68
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-6-[(5-hydroxy-4-methylpentyl)amino]-2,2-dimethylhexanimidamide
CID 106161745
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
N'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide
CID 106011954
3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-propan-2-ylpropanamide
CID 106711562
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea
CID 106711535
N'-hydroxy-2,2-dimethyl-6-(2-methylsulfonylethylamino)hexanimidamide
CID 106710917
3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide
CID 106711564
4-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]butanamide
CID 77063642
5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide
CID 114162300
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide
CID 106710924
4-(2-ethylsulfinylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 104867132

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-6-(3-methylsulfinylbutylamino)hexanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-6-(3-methylsulfinylbutylamino)hexanimidamide (CID 106711613) is N'-hydroxy-2,2-dimethyl-6-(3-methylsulfinylbutylamino)hexanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-6-(3-methylsulfinylbutylamino)hexanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-6-(3-methylsulfinylbutylamino)hexanimidamide is CC(CCNCCCCC(C)(C)C(N)=NO)S(C)=O.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-6-(3-methylsulfinylbutylamino)hexanimidamide?
The InChIKey is WROHIIVSKDPCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-11(19(4)18)7-10-15-9-6-5-8-13(2,3)12(14)16-17/h11,15,17H,5-10H2,1-4H3,(H2,14,16).
What are the key properties of N'-hydroxy-2,2-dimethyl-6-(3-methylsulfinylbutylamino)hexanimidamide?
N'-hydroxy-2,2-dimethyl-6-(3-methylsulfinylbutylamino)hexanimidamide has a molecular weight of 291.46 g/mol, XLogP of 1.68, 10 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-(3-methylsulfinylbutylamino)hexanimidamide is sourced from PubChem (CID 106711613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).