2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide

C8H19N3O3S — CID 77017209

IUPAC2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(C)(NS(=O)(=O)C(C)(C)C)C(N)=NO
InChIInChI=1S/C8H19N3O3S/c1-7(2,3)15(13,14)11-8(4,5)6(9)10-12/h11-12H,1-5H3,(H2,9,10)
InChIKeyQKUGFOKCMPLLLO-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.23
Rot. Bonds3

About 2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide

2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 77017209) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide
PubChem CID77017209
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC Name2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(C)(NS(=O)(=O)C(C)(C)C)C(N)=NO
InChIInChI=1S/C8H19N3O3S/c1-7(2,3)15(13,14)11-8(4,5)6(9)10-12/h11-12H,1-5H3,(H2,9,10)
InChIKeyQKUGFOKCMPLLLO-UHFFFAOYSA-N
XLogP0.23
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide (CID 77017209) is 2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide is CC(C)(NS(=O)(=O)C(C)(C)C)C(N)=NO.
What is the InChIKey of 2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is QKUGFOKCMPLLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-7(2,3)15(13,14)11-8(4,5)6(9)10-12/h11-12H,1-5H3,(H2,9,10).
What are the key properties of 2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide?
2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 237.32 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 77017209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).