2-ethyl-2-(methylsulfamoylamino)butanimidamide

C7H18N4O2S — CID 114813312

IUPAC2-ethyl-2-(methylsulfamoylamino)butanimidamide
SMILES[H]/N=C(\N)C(CC)(CC)NS(=O)(=O)NC
InChIInChI=1S/C7H18N4O2S/c1-4-7(5-2,6(8)9)11-14(12,13)10-3/h10-11H,4-5H2,1-3H3,(H3,8,9)
InChIKeyIHPFUJVRABSZOA-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.47
Rot. Bonds6

About 2-ethyl-2-(methylsulfamoylamino)butanimidamide

2-ethyl-2-(methylsulfamoylamino)butanimidamide (PubChem CID 114813312) has the molecular formula C7H18N4O2S and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-ethyl-2-(methylsulfamoylamino)butanimidamide.

Molecular Properties

Compound Name2-ethyl-2-(methylsulfamoylamino)butanimidamide
PubChem CID114813312
Molecular FormulaC7H18N4O2S
Molecular Weight222.31 g/mol
Exact Mass222.12
IUPAC Name2-ethyl-2-(methylsulfamoylamino)butanimidamide
SMILES[H]/N=C(\N)C(CC)(CC)NS(=O)(=O)NC
InChIInChI=1S/C7H18N4O2S/c1-4-7(5-2,6(8)9)11-14(12,13)10-3/h10-11H,4-5H2,1-3H3,(H3,8,9)
InChIKeyIHPFUJVRABSZOA-UHFFFAOYSA-N
XLogP-0.47
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-Ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 114813313
2-Ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 64406534
2-(Diethylsulfamoylamino)-2-ethylbutanimidamide
CID 64407786
2-(Dimethylsulfamoylamino)-2-methylbutanimidamide
CID 64407831
2-(Dimethylsulfamoylamino)-2-ethylbutanimidamide
CID 64408621
2-ethyl-N'-hydroxy-2-(methylsulfamoylamino)butanimidamide
CID 104978282
2-ethyl-2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978285
2-ethyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide
CID 104978286
N'-hydroxy-2-methyl-2-(methylsulfamoylamino)butanimidamide
CID 104978342
2-ethyl-N'-hydroxy-2-(sulfamoylamino)butanimidamide
CID 104985752
2-ethyl-N'-hydroxy-2-(propylsulfamoylamino)butanimidamide
CID 113637607
2-ethyl-N'-hydroxy-2-(2-methylpropylsulfamoylamino)butanimidamide
CID 113638241

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylsulfamoylamino)butanimidamide?
The IUPAC name of 2-ethyl-2-(methylsulfamoylamino)butanimidamide (CID 114813312) is 2-ethyl-2-(methylsulfamoylamino)butanimidamide.
What is the SMILES notation for 2-ethyl-2-(methylsulfamoylamino)butanimidamide?
The canonical SMILES for 2-ethyl-2-(methylsulfamoylamino)butanimidamide is [H]/N=C(\N)C(CC)(CC)NS(=O)(=O)NC.
What is the InChIKey of 2-ethyl-2-(methylsulfamoylamino)butanimidamide?
The InChIKey is IHPFUJVRABSZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O2S/c1-4-7(5-2,6(8)9)11-14(12,13)10-3/h10-11H,4-5H2,1-3H3,(H3,8,9).
What are the key properties of 2-ethyl-2-(methylsulfamoylamino)butanimidamide?
2-ethyl-2-(methylsulfamoylamino)butanimidamide has a molecular weight of 222.31 g/mol, XLogP of -0.47, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylsulfamoylamino)butanimidamide is sourced from PubChem (CID 114813312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).