N'-hydroxy-2-methyl-2-(methylsulfamoylamino)butanimidamide

C6H16N4O3S — CID 104978342

IUPACN'-hydroxy-2-methyl-2-(methylsulfamoylamino)butanimidamide
SMILESCCC(C)(NS(=O)(=O)NC)C(N)=NO
InChIInChI=1S/C6H16N4O3S/c1-4-6(2,5(7)9-11)10-14(12,13)8-3/h8,10-11H,4H2,1-3H3,(H2,7,9)
InChIKeyBTXSJNJECXYDSA-UHFFFAOYSA-N
MW224.29 g/mol
LogP-1.04
Rot. Bonds5

About N'-hydroxy-2-methyl-2-(methylsulfamoylamino)butanimidamide

N'-hydroxy-2-methyl-2-(methylsulfamoylamino)butanimidamide (PubChem CID 104978342) has the molecular formula C6H16N4O3S and a molecular weight of 224.29 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-2-(methylsulfamoylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-2-(methylsulfamoylamino)butanimidamide
PubChem CID104978342
Molecular FormulaC6H16N4O3S
Molecular Weight224.29 g/mol
Exact Mass224.09
IUPAC NameN'-hydroxy-2-methyl-2-(methylsulfamoylamino)butanimidamide
SMILESCCC(C)(NS(=O)(=O)NC)C(N)=NO
InChIInChI=1S/C6H16N4O3S/c1-4-6(2,5(7)9-11)10-14(12,13)8-3/h8,10-11H,4H2,1-3H3,(H2,7,9)
InChIKeyBTXSJNJECXYDSA-UHFFFAOYSA-N
XLogP-1.04
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 ≤ 5-1.04
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-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 113637615
N'-hydroxy-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 54947256
2-(dimethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide
CID 77038497
2-(tert-butylsulfamoylamino)-N'-hydroxypropanimidamide
CID 104978264
2-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978271
N'-hydroxy-2-(propylsulfamoylamino)butanimidamide
CID 104978272
2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978273
N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide
CID 104978274
2-(tert-butylsulfamoylamino)-N'-hydroxypentanimidamide
CID 104978277
2-ethyl-N'-hydroxy-2-(methylsulfamoylamino)butanimidamide
CID 104978282
2-(tert-butylsulfamoylamino)-2-ethyl-N'-hydroxybutanimidamide
CID 104978283
2-ethyl-2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978285

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-2-(methylsulfamoylamino)butanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-2-(methylsulfamoylamino)butanimidamide (CID 104978342) is N'-hydroxy-2-methyl-2-(methylsulfamoylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-2-(methylsulfamoylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-2-(methylsulfamoylamino)butanimidamide is CCC(C)(NS(=O)(=O)NC)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-2-(methylsulfamoylamino)butanimidamide?
The InChIKey is BTXSJNJECXYDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4O3S/c1-4-6(2,5(7)9-11)10-14(12,13)8-3/h8,10-11H,4H2,1-3H3,(H2,7,9).
What are the key properties of N'-hydroxy-2-methyl-2-(methylsulfamoylamino)butanimidamide?
N'-hydroxy-2-methyl-2-(methylsulfamoylamino)butanimidamide has a molecular weight of 224.29 g/mol, XLogP of -1.04, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-2-(methylsulfamoylamino)butanimidamide is sourced from PubChem (CID 104978342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).