2-methyl-2-(propan-2-ylsulfamoylamino)butanimidamide

C8H20N4O2S — CID 114813403

IUPAC2-methyl-2-(propan-2-ylsulfamoylamino)butanimidamide
SMILES[H]/N=C(\N)C(C)(CC)NS(=O)(=O)NC(C)C
InChIInChI=1S/C8H20N4O2S/c1-5-8(4,7(9)10)12-15(13,14)11-6(2)3/h6,11-12H,5H2,1-4H3,(H3,9,10)
InChIKeyQXOZIMKBNLCXHA-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.08
Rot. Bonds6

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

2-methyl-2-(propan-2-ylsulfamoylamino)butanimidamide (PubChem CID 114813403) has the molecular formula C8H20N4O2S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylsulfamoylamino)butanimidamide.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylsulfamoylamino)butanimidamide
PubChem CID114813403
Molecular FormulaC8H20N4O2S
Molecular Weight236.34 g/mol
Exact Mass236.13
IUPAC Name2-methyl-2-(propan-2-ylsulfamoylamino)butanimidamide
SMILES[H]/N=C(\N)C(C)(CC)NS(=O)(=O)NC(C)C
InChIInChI=1S/C8H20N4O2S/c1-5-8(4,7(9)10)12-15(13,14)11-6(2)3/h6,11-12H,5H2,1-4H3,(H3,9,10)
InChIKeyQXOZIMKBNLCXHA-UHFFFAOYSA-N
XLogP-0.08
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.08
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
N'-hydroxy-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 54947256
2-[[Methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 64406146
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-(Dimethylsulfamoylamino)-2-methylbutanimidamide
CID 64407831
2-Methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 64408034
2-Methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 64408759
2-(Diethylsulfamoylamino)-3-methylbutanimidamide
CID 64425054
2-(Dimethylsulfamoylamino)-3-methylbutanimidamide
CID 64426019
3-Methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 64426801

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylsulfamoylamino)butanimidamide?
The IUPAC name of 2-methyl-2-(propan-2-ylsulfamoylamino)butanimidamide (CID 114813403) is 2-methyl-2-(propan-2-ylsulfamoylamino)butanimidamide.
What is the SMILES notation for 2-methyl-2-(propan-2-ylsulfamoylamino)butanimidamide?
The canonical SMILES for 2-methyl-2-(propan-2-ylsulfamoylamino)butanimidamide is [H]/N=C(\N)C(C)(CC)NS(=O)(=O)NC(C)C.
What is the InChIKey of 2-methyl-2-(propan-2-ylsulfamoylamino)butanimidamide?
The InChIKey is QXOZIMKBNLCXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O2S/c1-5-8(4,7(9)10)12-15(13,14)11-6(2)3/h6,11-12H,5H2,1-4H3,(H3,9,10).
What are the key properties of 2-methyl-2-(propan-2-ylsulfamoylamino)butanimidamide?
2-methyl-2-(propan-2-ylsulfamoylamino)butanimidamide has a molecular weight of 236.34 g/mol, XLogP of -0.08, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylsulfamoylamino)butanimidamide is sourced from PubChem (CID 114813403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).