4-tert-butylsulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide

C10H22N2OS — CID 77062368

IUPAC4-tert-butylsulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(C)SCCC(C)(C)C(N)=NO
InChIInChI=1S/C10H22N2OS/c1-9(2,3)14-7-6-10(4,5)8(11)12-13/h13H,6-7H2,1-5H3,(H2,11,12)
InChIKeyWNNBIKKMHWVPKS-UHFFFAOYSA-N
MW218.37 g/mol
LogP2.68
Rot. Bonds4

About 4-tert-butylsulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide

4-tert-butylsulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77062368) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 4-tert-butylsulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-tert-butylsulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77062368
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name4-tert-butylsulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(C)SCCC(C)(C)C(N)=NO
InChIInChI=1S/C10H22N2OS/c1-9(2,3)14-7-6-10(4,5)8(11)12-13/h13H,6-7H2,1-5H3,(H2,11,12)
InChIKeyWNNBIKKMHWVPKS-UHFFFAOYSA-N
XLogP2.68
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(cyclopentylmethylsulfanyl)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062372
4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981
N'-hydroxy-2,2-dimethyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanimidamide
CID 77062397
N'-hydroxy-2,2-dimethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanimidamide
CID 77062476
4-(2-chlorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062349
5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063094
N'-hydroxy-2,2-dimethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanimidamide
CID 77062438
4-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062416
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide
CID 106710924
N'-hydroxy-2,2-dimethyl-4-propoxybutanimidamide
CID 77062773
N'-hydroxy-2,2-dimethyl-5-phenylsulfanylpentanimidamide
CID 77063342

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-tert-butylsulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77062368) is 4-tert-butylsulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-tert-butylsulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-tert-butylsulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide is CC(C)(C)SCCC(C)(C)C(N)=NO.
What is the InChIKey of 4-tert-butylsulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is WNNBIKKMHWVPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-9(2,3)14-7-6-10(4,5)8(11)12-13/h13H,6-7H2,1-5H3,(H2,11,12).
What are the key properties of 4-tert-butylsulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide?
4-tert-butylsulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 218.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).