2,2-dimethyl-3-(propan-2-ylsulfamoylamino)propanimidamide

C8H20N4O2S — CID 114813612

IUPAC2,2-dimethyl-3-(propan-2-ylsulfamoylamino)propanimidamide
SMILES[H]/N=C(\N)C(C)(C)CNS(=O)(=O)NC(C)C
InChIInChI=1S/C8H20N4O2S/c1-6(2)12-15(13,14)11-5-8(3,4)7(9)10/h6,11-12H,5H2,1-4H3,(H3,9,10)
InChIKeyNNXKMKDQIFOILF-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.22
Rot. Bonds6

About 2,2-dimethyl-3-(propan-2-ylsulfamoylamino)propanimidamide

2,2-dimethyl-3-(propan-2-ylsulfamoylamino)propanimidamide (PubChem CID 114813612) has the molecular formula C8H20N4O2S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2,2-dimethyl-3-(propan-2-ylsulfamoylamino)propanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(propan-2-ylsulfamoylamino)propanimidamide
PubChem CID114813612
Molecular FormulaC8H20N4O2S
Molecular Weight236.34 g/mol
Exact Mass236.13
IUPAC Name2,2-dimethyl-3-(propan-2-ylsulfamoylamino)propanimidamide
SMILES[H]/N=C(\N)C(C)(C)CNS(=O)(=O)NC(C)C
InChIInChI=1S/C8H20N4O2S/c1-6(2)12-15(13,14)11-5-8(3,4)7(9)10/h6,11-12H,5H2,1-4H3,(H3,9,10)
InChIKeyNNXKMKDQIFOILF-UHFFFAOYSA-N
XLogP-0.22
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 ≤ 5-0.22
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'}

Analyze 2,2-dimethyl-3-(propan-2-ylsulfamoylamino)propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 64405515
3-[[Methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 64406691
3-[[Methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 64407081
3-(cyclopropylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
CID 104978571
N'-hydroxy-2,2-dimethyl-3-(propylsulfamoylamino)propanimidamide
CID 104978573
N'-hydroxy-2,2-dimethyl-3-(propan-2-ylsulfamoylamino)propanimidamide
CID 104978576
3-(tert-butylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
CID 113637660
3-(Propan-2-ylsulfamoylamino)butanimidamide
CID 114813148
3-(Methylsulfamoylamino)butanimidamide
CID 114813150
3-(Tert-butylsulfamoylamino)butanimidamide
CID 114813152
3-(Ethylsulfamoylamino)butanimidamide
CID 114813153
3-(Propylsulfamoylamino)butanimidamide
CID 114813154

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(propan-2-ylsulfamoylamino)propanimidamide?
The IUPAC name of 2,2-dimethyl-3-(propan-2-ylsulfamoylamino)propanimidamide (CID 114813612) is 2,2-dimethyl-3-(propan-2-ylsulfamoylamino)propanimidamide.
What is the SMILES notation for 2,2-dimethyl-3-(propan-2-ylsulfamoylamino)propanimidamide?
The canonical SMILES for 2,2-dimethyl-3-(propan-2-ylsulfamoylamino)propanimidamide is [H]/N=C(\N)C(C)(C)CNS(=O)(=O)NC(C)C.
What is the InChIKey of 2,2-dimethyl-3-(propan-2-ylsulfamoylamino)propanimidamide?
The InChIKey is NNXKMKDQIFOILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O2S/c1-6(2)12-15(13,14)11-5-8(3,4)7(9)10/h6,11-12H,5H2,1-4H3,(H3,9,10).
What are the key properties of 2,2-dimethyl-3-(propan-2-ylsulfamoylamino)propanimidamide?
2,2-dimethyl-3-(propan-2-ylsulfamoylamino)propanimidamide has a molecular weight of 236.34 g/mol, XLogP of -0.22, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(propan-2-ylsulfamoylamino)propanimidamide is sourced from PubChem (CID 114813612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).