N'-hydroxy-4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2,2-dimethylbutanimidamide

C11H25N3O2S — CID 114163753

IUPACN'-hydroxy-4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2,2-dimethylbutanimidamide
SMILESCSCC(C)(O)CNCCC(C)(C)C(N)=NO
InChIInChI=1S/C11H25N3O2S/c1-10(2,9(12)14-16)5-6-13-7-11(3,15)8-17-4/h13,15-16H,5-8H2,1-4H3,(H2,12,14)
InChIKeyOCVYJFVGVCYYHK-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.85
Rot. Bonds8

About N'-hydroxy-4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2,2-dimethylbutanimidamide

N'-hydroxy-4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2,2-dimethylbutanimidamide (PubChem CID 114163753) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is N'-hydroxy-4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2,2-dimethylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2,2-dimethylbutanimidamide
PubChem CID114163753
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC NameN'-hydroxy-4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2,2-dimethylbutanimidamide
SMILESCSCC(C)(O)CNCCC(C)(C)C(N)=NO
InChIInChI=1S/C11H25N3O2S/c1-10(2,9(12)14-16)5-6-13-7-11(3,15)8-17-4/h13,15-16H,5-8H2,1-4H3,(H2,12,14)
InChIKeyOCVYJFVGVCYYHK-UHFFFAOYSA-N
XLogP0.85
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.85
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2,2-dimethylbutanimidamide?
The IUPAC name of N'-hydroxy-4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2,2-dimethylbutanimidamide (CID 114163753) is N'-hydroxy-4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2,2-dimethylbutanimidamide.
What is the SMILES notation for N'-hydroxy-4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2,2-dimethylbutanimidamide?
The canonical SMILES for N'-hydroxy-4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2,2-dimethylbutanimidamide is CSCC(C)(O)CNCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2,2-dimethylbutanimidamide?
The InChIKey is OCVYJFVGVCYYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-10(2,9(12)14-16)5-6-13-7-11(3,15)8-17-4/h13,15-16H,5-8H2,1-4H3,(H2,12,14).
What are the key properties of N'-hydroxy-4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2,2-dimethylbutanimidamide?
N'-hydroxy-4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2,2-dimethylbutanimidamide has a molecular weight of 263.41 g/mol, XLogP of 0.85, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2,2-dimethylbutanimidamide is sourced from PubChem (CID 114163753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).