N'-hydroxy-2-(2-methylbutan-2-ylsulfanyl)ethanimidamide

C7H16N2OS — CID 170046284

IUPACN'-hydroxy-2-(2-methylbutan-2-ylsulfanyl)ethanimidamide
SMILESCCC(C)(C)SC/C(N)=N\O
InChIInChI=1S/C7H16N2OS/c1-4-7(2,3)11-5-6(8)9-10/h10H,4-5H2,1-3H3,(H2,8,9)
InChIKeyPDALTDFUDSTQNX-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.65
Rot. Bonds4

About N'-hydroxy-2-(2-methylbutan-2-ylsulfanyl)ethanimidamide

N'-hydroxy-2-(2-methylbutan-2-ylsulfanyl)ethanimidamide (PubChem CID 170046284) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is N'-hydroxy-2-(2-methylbutan-2-ylsulfanyl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-methylbutan-2-ylsulfanyl)ethanimidamide
PubChem CID170046284
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC NameN'-hydroxy-2-(2-methylbutan-2-ylsulfanyl)ethanimidamide
SMILESCCC(C)(C)SC/C(N)=N\O
InChIInChI=1S/C7H16N2OS/c1-4-7(2,3)11-5-6(8)9-10/h10H,4-5H2,1-3H3,(H2,8,9)
InChIKeyPDALTDFUDSTQNX-UHFFFAOYSA-N
XLogP1.65
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.65
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-methylbutan-2-ylsulfanyl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(2-methylbutan-2-ylsulfanyl)ethanimidamide (CID 170046284) is N'-hydroxy-2-(2-methylbutan-2-ylsulfanyl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2-methylbutan-2-ylsulfanyl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(2-methylbutan-2-ylsulfanyl)ethanimidamide is CCC(C)(C)SC/C(N)=N\O.
What is the InChIKey of N'-hydroxy-2-(2-methylbutan-2-ylsulfanyl)ethanimidamide?
The InChIKey is PDALTDFUDSTQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-4-7(2,3)11-5-6(8)9-10/h10H,4-5H2,1-3H3,(H2,8,9).
What are the key properties of N'-hydroxy-2-(2-methylbutan-2-ylsulfanyl)ethanimidamide?
N'-hydroxy-2-(2-methylbutan-2-ylsulfanyl)ethanimidamide has a molecular weight of 176.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-methylbutan-2-ylsulfanyl)ethanimidamide is sourced from PubChem (CID 170046284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).