2-(tert-butylsulfamoylamino)-2-methylpropanimidamide

C8H20N4O2S — CID 114813181

IUPAC2-(tert-butylsulfamoylamino)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)(C)NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H20N4O2S/c1-7(2,3)11-15(13,14)12-8(4,5)6(9)10/h11-12H,1-5H3,(H3,9,10)
InChIKeyMZWDVVURRHYFKK-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.08
Rot. Bonds4

About 2-(tert-butylsulfamoylamino)-2-methylpropanimidamide

2-(tert-butylsulfamoylamino)-2-methylpropanimidamide (PubChem CID 114813181) has the molecular formula C8H20N4O2S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-(tert-butylsulfamoylamino)-2-methylpropanimidamide.

Molecular Properties

Compound Name2-(tert-butylsulfamoylamino)-2-methylpropanimidamide
PubChem CID114813181
Molecular FormulaC8H20N4O2S
Molecular Weight236.34 g/mol
Exact Mass236.13
IUPAC Name2-(tert-butylsulfamoylamino)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)(C)NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H20N4O2S/c1-7(2,3)11-15(13,14)12-8(4,5)6(9)10/h11-12H,1-5H3,(H3,9,10)
InChIKeyMZWDVVURRHYFKK-UHFFFAOYSA-N
XLogP-0.08
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
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-(Tert-butylsulfonylamino)-2-methylpropanimidamide
CID 64405626
2-(Diethylsulfamoylamino)-2-methylpropanimidamide
CID 64406884
2-(Dimethylsulfamoylamino)-2-methylpropanimidamide
CID 64407718
2-(Dimethylsulfamoylamino)-2-methylbutanimidamide
CID 64407831
2-Methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 64408759
2-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
CID 104978289
2-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide
CID 104978343
2-Methyl-2-(propan-2-ylsulfamoylamino)propanimidamide
CID 114813177
2-Methyl-2-(methylsulfamoylamino)propanimidamide
CID 114813179
2-(Ethylsulfamoylamino)-2-methylpropanimidamide
CID 114813182
2-Methyl-2-(propylsulfamoylamino)propanimidamide
CID 114813183
2-(Tert-butylsulfamoylamino)ethanimidamide
CID 114813248

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfamoylamino)-2-methylpropanimidamide?
The IUPAC name of 2-(tert-butylsulfamoylamino)-2-methylpropanimidamide (CID 114813181) is 2-(tert-butylsulfamoylamino)-2-methylpropanimidamide.
What is the SMILES notation for 2-(tert-butylsulfamoylamino)-2-methylpropanimidamide?
The canonical SMILES for 2-(tert-butylsulfamoylamino)-2-methylpropanimidamide is [H]/N=C(\N)C(C)(C)NS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 2-(tert-butylsulfamoylamino)-2-methylpropanimidamide?
The InChIKey is MZWDVVURRHYFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O2S/c1-7(2,3)11-15(13,14)12-8(4,5)6(9)10/h11-12H,1-5H3,(H3,9,10).
What are the key properties of 2-(tert-butylsulfamoylamino)-2-methylpropanimidamide?
2-(tert-butylsulfamoylamino)-2-methylpropanimidamide has a molecular weight of 236.34 g/mol, XLogP of -0.08, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfamoylamino)-2-methylpropanimidamide is sourced from PubChem (CID 114813181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).