3-(butylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide

C9H21N3O3S — CID 104873860

IUPAC3-(butylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
SMILESCCCCS(=O)(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C9H21N3O3S/c1-4-5-6-16(14,15)11-7-9(2,3)8(10)12-13/h11,13H,4-7H2,1-3H3,(H2,10,12)
InChIKeyVHAIKHWUVFNVTB-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.48
Rot. Bonds7

About 3-(butylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide

3-(butylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide (PubChem CID 104873860) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-(butylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide.

Molecular Properties

Compound Name3-(butylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
PubChem CID104873860
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC Name3-(butylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
SMILESCCCCS(=O)(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C9H21N3O3S/c1-4-5-6-16(14,15)11-7-9(2,3)8(10)12-13/h11,13H,4-7H2,1-3H3,(H2,10,12)
InChIKeyVHAIKHWUVFNVTB-UHFFFAOYSA-N
XLogP0.48
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.48
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 3-(butylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide?
The IUPAC name of 3-(butylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide (CID 104873860) is 3-(butylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide.
What is the SMILES notation for 3-(butylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide?
The canonical SMILES for 3-(butylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide is CCCCS(=O)(=O)NCC(C)(C)C(N)=NO.
What is the InChIKey of 3-(butylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide?
The InChIKey is VHAIKHWUVFNVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-4-5-6-16(14,15)11-7-9(2,3)8(10)12-13/h11,13H,4-7H2,1-3H3,(H2,10,12).
What are the key properties of 3-(butylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide?
3-(butylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide has a molecular weight of 251.35 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide is sourced from PubChem (CID 104873860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).