N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide

C6H16N4O3S — CID 61453718

IUPACN'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
SMILESCC(C)N(C)S(=O)(=O)NCC(N)=NO
InChIInChI=1S/C6H16N4O3S/c1-5(2)10(3)14(12,13)8-4-6(7)9-11/h5,8,11H,4H2,1-3H3,(H2,7,9)
InChIKeyWIBNBSKACCOKKU-UHFFFAOYSA-N
MW224.29 g/mol
LogP-1.09
Rot. Bonds5

About N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide

N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide (PubChem CID 61453718) has the molecular formula C6H16N4O3S and a molecular weight of 224.29 g/mol. Its IUPAC name is N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
PubChem CID61453718
Molecular FormulaC6H16N4O3S
Molecular Weight224.29 g/mol
Exact Mass224.09
IUPAC NameN'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
SMILESCC(C)N(C)S(=O)(=O)NCC(N)=NO
InChIInChI=1S/C6H16N4O3S/c1-5(2)10(3)14(12,13)8-4-6(7)9-11/h5,8,11H,4H2,1-3H3,(H2,7,9)
InChIKeyWIBNBSKACCOKKU-UHFFFAOYSA-N
XLogP-1.09
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 5-1.09
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

N'-hydroxy-2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide
CID 104978543
N'-hydroxy-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 113637624
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide
CID 54947205
N'-hydroxy-3-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 61453563
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-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 61453675
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]-propylamino]ethanimidamide
CID 61876797
2-(Dimethylsulfamoylamino)butanimidamide
CID 64406348
2-[[Methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 64406503
2-[Methyl-[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 64407763
2-(Diethylsulfamoylamino)propanimidamide
CID 64413725

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide (CID 61453718) is N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide is CC(C)N(C)S(=O)(=O)NCC(N)=NO.
What is the InChIKey of N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide?
The InChIKey is WIBNBSKACCOKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4O3S/c1-5(2)10(3)14(12,13)8-4-6(7)9-11/h5,8,11H,4H2,1-3H3,(H2,7,9).
What are the key properties of N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide?
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide has a molecular weight of 224.29 g/mol, XLogP of -1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide is sourced from PubChem (CID 61453718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).