2-ethyl-2-(propan-2-ylsulfamoylamino)butanimidamide

C9H22N4O2S — CID 114813310

IUPAC2-ethyl-2-(propan-2-ylsulfamoylamino)butanimidamide
SMILES[H]/N=C(\N)C(CC)(CC)NS(=O)(=O)NC(C)C
InChIInChI=1S/C9H22N4O2S/c1-5-9(6-2,8(10)11)13-16(14,15)12-7(3)4/h7,12-13H,5-6H2,1-4H3,(H3,10,11)
InChIKeyCHBOEUYBSRDYGE-UHFFFAOYSA-N
MW250.37 g/mol
LogP0.31
Rot. Bonds7

About 2-ethyl-2-(propan-2-ylsulfamoylamino)butanimidamide

2-ethyl-2-(propan-2-ylsulfamoylamino)butanimidamide (PubChem CID 114813310) has the molecular formula C9H22N4O2S and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-ethyl-2-(propan-2-ylsulfamoylamino)butanimidamide.

Molecular Properties

Compound Name2-ethyl-2-(propan-2-ylsulfamoylamino)butanimidamide
PubChem CID114813310
Molecular FormulaC9H22N4O2S
Molecular Weight250.37 g/mol
Exact Mass250.15
IUPAC Name2-ethyl-2-(propan-2-ylsulfamoylamino)butanimidamide
SMILES[H]/N=C(\N)C(CC)(CC)NS(=O)(=O)NC(C)C
InChIInChI=1S/C9H22N4O2S/c1-5-9(6-2,8(10)11)13-16(14,15)12-7(3)4/h7,12-13H,5-6H2,1-4H3,(H3,10,11)
InChIKeyCHBOEUYBSRDYGE-UHFFFAOYSA-N
XLogP0.31
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 50.31
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-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 54947254
2-Ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 64406534
2-(Diethylsulfamoylamino)-2-ethylbutanimidamide
CID 64407786
2-(Diethylsulfamoylamino)-2-methylbutanimidamide
CID 64407826
2-Methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 64408034
2-(Dimethylsulfamoylamino)-2-ethylbutanimidamide
CID 64408621
3-Methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 64426801
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-(propylsulfamoylamino)butanimidamide
CID 104978344

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(propan-2-ylsulfamoylamino)butanimidamide?
The IUPAC name of 2-ethyl-2-(propan-2-ylsulfamoylamino)butanimidamide (CID 114813310) is 2-ethyl-2-(propan-2-ylsulfamoylamino)butanimidamide.
What is the SMILES notation for 2-ethyl-2-(propan-2-ylsulfamoylamino)butanimidamide?
The canonical SMILES for 2-ethyl-2-(propan-2-ylsulfamoylamino)butanimidamide is [H]/N=C(\N)C(CC)(CC)NS(=O)(=O)NC(C)C.
What is the InChIKey of 2-ethyl-2-(propan-2-ylsulfamoylamino)butanimidamide?
The InChIKey is CHBOEUYBSRDYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O2S/c1-5-9(6-2,8(10)11)13-16(14,15)12-7(3)4/h7,12-13H,5-6H2,1-4H3,(H3,10,11).
What are the key properties of 2-ethyl-2-(propan-2-ylsulfamoylamino)butanimidamide?
2-ethyl-2-(propan-2-ylsulfamoylamino)butanimidamide has a molecular weight of 250.37 g/mol, XLogP of 0.31, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(propan-2-ylsulfamoylamino)butanimidamide is sourced from PubChem (CID 114813310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).