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

C6H16N4O3S — CID 104978268

IUPACN'-hydroxy-2-(propan-2-ylsulfamoylamino)propanimidamide
SMILESCC(C)NS(=O)(=O)NC(C)C(N)=NO
InChIInChI=1S/C6H16N4O3S/c1-4(2)9-14(12,13)10-5(3)6(7)8-11/h4-5,9-11H,1-3H3,(H2,7,8)
InChIKeyCIIDQSBFISBADD-UHFFFAOYSA-N
MW224.29 g/mol
LogP-1.05
Rot. Bonds5

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

N'-hydroxy-2-(propan-2-ylsulfamoylamino)propanimidamide (PubChem CID 104978268) has the molecular formula C6H16N4O3S and a molecular weight of 224.29 g/mol. Its IUPAC name is N'-hydroxy-2-(propan-2-ylsulfamoylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(propan-2-ylsulfamoylamino)propanimidamide
PubChem CID104978268
Molecular FormulaC6H16N4O3S
Molecular Weight224.29 g/mol
Exact Mass224.09
IUPAC NameN'-hydroxy-2-(propan-2-ylsulfamoylamino)propanimidamide
SMILESCC(C)NS(=O)(=O)NC(C)C(N)=NO
InChIInChI=1S/C6H16N4O3S/c1-4(2)9-14(12,13)10-5(3)6(7)8-11/h4-5,9-11H,1-3H3,(H2,7,8)
InChIKeyCIIDQSBFISBADD-UHFFFAOYSA-N
XLogP-1.05
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 5-1.05
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'}

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Related Compounds

N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 104978266
N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 113637605
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-[[Methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 64415441
N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 76928171
2-[dimethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide
CID 76928290
2-[diethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide
CID 76928366
N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 76929317
3-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide
CID 76934632

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(propan-2-ylsulfamoylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-(propan-2-ylsulfamoylamino)propanimidamide (CID 104978268) is N'-hydroxy-2-(propan-2-ylsulfamoylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-(propan-2-ylsulfamoylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-(propan-2-ylsulfamoylamino)propanimidamide is CC(C)NS(=O)(=O)NC(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(propan-2-ylsulfamoylamino)propanimidamide?
The InChIKey is CIIDQSBFISBADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4O3S/c1-4(2)9-14(12,13)10-5(3)6(7)8-11/h4-5,9-11H,1-3H3,(H2,7,8).
What are the key properties of N'-hydroxy-2-(propan-2-ylsulfamoylamino)propanimidamide?
N'-hydroxy-2-(propan-2-ylsulfamoylamino)propanimidamide has a molecular weight of 224.29 g/mol, XLogP of -1.05, 5 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)propanimidamide is sourced from PubChem (CID 104978268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).