N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide

C7H18N4O3S — CID 104978274

IUPACN'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide
SMILESCCC(NS(=O)(=O)NC(C)C)C(N)=NO
InChIInChI=1S/C7H18N4O3S/c1-4-6(7(8)9-12)11-15(13,14)10-5(2)3/h5-6,10-12H,4H2,1-3H3,(H2,8,9)
InChIKeyHNOXOVKGTBLDKS-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.66
Rot. Bonds6

About N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide

N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide (PubChem CID 104978274) has the molecular formula C7H18N4O3S and a molecular weight of 238.31 g/mol. Its IUPAC name is N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide
PubChem CID104978274
Molecular FormulaC7H18N4O3S
Molecular Weight238.31 g/mol
Exact Mass238.11
IUPAC NameN'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide
SMILESCCC(NS(=O)(=O)NC(C)C)C(N)=NO
InChIInChI=1S/C7H18N4O3S/c1-4-6(7(8)9-12)11-15(13,14)10-5(2)3/h5-6,10-12H,4H2,1-3H3,(H2,8,9)
InChIKeyHNOXOVKGTBLDKS-UHFFFAOYSA-N
XLogP-0.66
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
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'}

Analyze N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 104978266
N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide
CID 104978279
N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 113637605
3-Ethyl-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine
CID 23564162
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide
CID 54947205
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 61453639
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 61453640
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 61453718
2-(Dimethylsulfamoylamino)butanimidamide
CID 64406348
N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 76928171
2-[dimethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide
CID 76928290
N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 76929317

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide?
The IUPAC name of N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide (CID 104978274) is N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide is CCC(NS(=O)(=O)NC(C)C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide?
The InChIKey is HNOXOVKGTBLDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O3S/c1-4-6(7(8)9-12)11-15(13,14)10-5(2)3/h5-6,10-12H,4H2,1-3H3,(H2,8,9).
What are the key properties of N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide?
N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide has a molecular weight of 238.31 g/mol, XLogP of -0.66, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide is sourced from PubChem (CID 104978274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).