N'-hydroxy-2,2-dimethyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide

C9H22N4O3S — CID 104873849

IUPACN'-hydroxy-2,2-dimethyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
SMILESCC(C)N(C)S(=O)(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C9H22N4O3S/c1-7(2)13(5)17(15,16)11-6-9(3,4)8(10)12-14/h7,11,14H,6H2,1-5H3,(H2,10,12)
InChIKeyOWBDBXUOMPUVDI-UHFFFAOYSA-N
MW266.37 g/mol
LogP-0.07
Rot. Bonds6

About N'-hydroxy-2,2-dimethyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide

N'-hydroxy-2,2-dimethyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide (PubChem CID 104873849) has the molecular formula C9H22N4O3S and a molecular weight of 266.37 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
PubChem CID104873849
Molecular FormulaC9H22N4O3S
Molecular Weight266.37 g/mol
Exact Mass266.14
IUPAC NameN'-hydroxy-2,2-dimethyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
SMILESCC(C)N(C)S(=O)(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C9H22N4O3S/c1-7(2)13(5)17(15,16)11-6-9(3,4)8(10)12-14/h7,11,14H,6H2,1-5H3,(H2,10,12)
InChIKeyOWBDBXUOMPUVDI-UHFFFAOYSA-N
XLogP-0.07
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 5-0.07
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-(difluoromethylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
CID 104873880
N'-hydroxy-2,2-dimethyl-3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide
CID 104873870
N'-hydroxy-2,2-dimethyl-3-(pyrrolidin-1-ylsulfonylamino)propanimidamide
CID 104873859
2-hydroxy-2-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]-3-methylsulfanylpropane
CID 103835642
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-2-ethylbutanamide
CID 104873798
N'-hydroxy-2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanimidamide
CID 104873862
N'-hydroxy-2,2-dimethyl-3-(1H-pyrazol-5-ylsulfonylamino)propanimidamide
CID 102693887
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylpentanamide
CID 104982329
N'-hydroxy-2,2-dimethyl-3-[(1-methylimidazol-4-yl)sulfonylamino]propanimidamide
CID 104873854
3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanethioamide
CID 114808350
N'-hydroxy-2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide
CID 104978543
4-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062077

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide (CID 104873849) is N'-hydroxy-2,2-dimethyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide is CC(C)N(C)S(=O)(=O)NCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide?
The InChIKey is OWBDBXUOMPUVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O3S/c1-7(2)13(5)17(15,16)11-6-9(3,4)8(10)12-14/h7,11,14H,6H2,1-5H3,(H2,10,12).
What are the key properties of N'-hydroxy-2,2-dimethyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide?
N'-hydroxy-2,2-dimethyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide has a molecular weight of 266.37 g/mol, XLogP of -0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide is sourced from PubChem (CID 104873849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).