4-(2-ethylsulfinylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide

C10H23N3O2S — CID 104867132

IUPAC4-(2-ethylsulfinylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCCS(=O)CCNCCC(C)(C)C(N)=NO
InChIInChI=1S/C10H23N3O2S/c1-4-16(15)8-7-12-6-5-10(2,3)9(11)13-14/h12,14H,4-8H2,1-3H3,(H2,11,13)
InChIKeyFYUYSRMZHJQKHW-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.51
Rot. Bonds8

About 4-(2-ethylsulfinylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide

4-(2-ethylsulfinylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 104867132) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is 4-(2-ethylsulfinylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(2-ethylsulfinylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID104867132
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name4-(2-ethylsulfinylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCCS(=O)CCNCCC(C)(C)C(N)=NO
InChIInChI=1S/C10H23N3O2S/c1-4-16(15)8-7-12-6-5-10(2,3)9(11)13-14/h12,14H,4-8H2,1-3H3,(H2,11,13)
InChIKeyFYUYSRMZHJQKHW-UHFFFAOYSA-N
XLogP0.51
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.51
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

4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981
5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide
CID 114162300
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77072429
4-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]butanamide
CID 77063642
5-(3-ethylsulfanylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 114248120
N'-(2-ethylsulfinylethyl)ethane-1,2-diamine
CID 130589076
N'-hydroxy-2,2-dimethyl-6-(3-methylsulfinylbutylamino)hexanimidamide
CID 106711613
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 106256717
N'-hydroxy-2,2-dimethyl-4-(2-propan-2-yloxyethylamino)butanimidamide
CID 104762047
2-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]-N-tert-butylacetamide
CID 113293207

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylsulfinylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(2-ethylsulfinylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide (CID 104867132) is 4-(2-ethylsulfinylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(2-ethylsulfinylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(2-ethylsulfinylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide is CCS(=O)CCNCCC(C)(C)C(N)=NO.
What is the InChIKey of 4-(2-ethylsulfinylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is FYUYSRMZHJQKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-4-16(15)8-7-12-6-5-10(2,3)9(11)13-14/h12,14H,4-8H2,1-3H3,(H2,11,13).
What are the key properties of 4-(2-ethylsulfinylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
4-(2-ethylsulfinylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 249.38 g/mol, XLogP of 0.51, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylsulfinylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 104867132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).