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

C9H21N3O3S — CID 77017138

IUPAC2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide
SMILESCCC(C)(NS(=O)(=O)C(C)(C)C)C(N)=NO
InChIInChI=1S/C9H21N3O3S/c1-6-9(5,7(10)11-13)12-16(14,15)8(2,3)4/h12-13H,6H2,1-5H3,(H2,10,11)
InChIKeyXUGVBZLENUWHGK-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.62
Rot. Bonds4

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

2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide (PubChem CID 77017138) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide.

Molecular Properties

Compound Name2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide
PubChem CID77017138
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC Name2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide
SMILESCCC(C)(NS(=O)(=O)C(C)(C)C)C(N)=NO
InChIInChI=1S/C9H21N3O3S/c1-6-9(5,7(10)11-13)12-16(14,15)8(2,3)4/h12-13H,6H2,1-5H3,(H2,10,11)
InChIKeyXUGVBZLENUWHGK-UHFFFAOYSA-N
XLogP0.62
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.62
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-methylbutanimidamide?
The IUPAC name of 2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide (CID 77017138) is 2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide.
What is the SMILES notation for 2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide?
The canonical SMILES for 2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide is CCC(C)(NS(=O)(=O)C(C)(C)C)C(N)=NO.
What is the InChIKey of 2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide?
The InChIKey is XUGVBZLENUWHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-6-9(5,7(10)11-13)12-16(14,15)8(2,3)4/h12-13H,6H2,1-5H3,(H2,10,11).
What are the key properties of 2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide?
2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide has a molecular weight of 251.35 g/mol, XLogP of 0.62, 4 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-methylbutanimidamide is sourced from PubChem (CID 77017138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).