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

C8H19N3O3S — CID 76952622

IUPAC3-(butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCCCCS(=O)(=O)NCC(C)C(N)=NO
InChIInChI=1S/C8H19N3O3S/c1-3-4-5-15(13,14)10-6-7(2)8(9)11-12/h7,10,12H,3-6H2,1-2H3,(H2,9,11)
InChIKeyDSTQJEJEFRDSPY-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.09
Rot. Bonds7

About 3-(butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide

3-(butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 76952622) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide
PubChem CID76952622
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC Name3-(butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCCCCS(=O)(=O)NCC(C)C(N)=NO
InChIInChI=1S/C8H19N3O3S/c1-3-4-5-15(13,14)10-6-7(2)8(9)11-12/h7,10,12H,3-6H2,1-2H3,(H2,9,11)
InChIKeyDSTQJEJEFRDSPY-UHFFFAOYSA-N
XLogP0.09
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.09
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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Related Compounds

3-(ethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide
CID 76952623
N'-hydroxy-3-(2-methoxyethylsulfonylamino)-2-methylpropanimidamide
CID 76953299
3-(cyclopropylmethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide
CID 77052471
N'-hydroxy-2-methyl-3-(pentylamino)propanimidamide
CID 77026293
3-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
CID 104978430
N-[2-(diethylamino)propyl]butane-1-sulfonamide
CID 112502209
N-(2-methylpropyl)hexadecane-1-sulfonamide
CID 22976871
N'-hydroxy-2-methyl-3-[(4-methylphenyl)sulfonylamino]propanimidamide
CID 76953347
5-(butylsulfonylamino)-4-methylpentanoic acid
CID 82016892
3-(2-ethylhexylamino)-N'-hydroxy-2-methylpropanimidamide
CID 107815448
N'-hydroxy-2-methyl-3-[methyl(propylsulfamoyl)amino]propanimidamide
CID 104978362
N-(4-aminopentyl)butane-1-sulfonamide
CID 106125942

Frequently Asked Questions

What is the IUPAC name of 3-(butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-(butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide (CID 76952622) is 3-(butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-(butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-(butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide is CCCCS(=O)(=O)NCC(C)C(N)=NO.
What is the InChIKey of 3-(butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is DSTQJEJEFRDSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-3-4-5-15(13,14)10-6-7(2)8(9)11-12/h7,10,12H,3-6H2,1-2H3,(H2,9,11).
What are the key properties of 3-(butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide?
3-(butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 237.32 g/mol, XLogP of 0.09, 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-methylpropanimidamide is sourced from PubChem (CID 76952622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).