2-methyl-2-(propylsulfamoylamino)propanimidamide

C7H18N4O2S — CID 114813183

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

About 2-methyl-2-(propylsulfamoylamino)propanimidamide

2-methyl-2-(propylsulfamoylamino)propanimidamide (PubChem CID 114813183) has the molecular formula C7H18N4O2S and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-methyl-2-(propylsulfamoylamino)propanimidamide.

Molecular Properties

Compound Name2-methyl-2-(propylsulfamoylamino)propanimidamide
PubChem CID114813183
Molecular FormulaC7H18N4O2S
Molecular Weight222.31 g/mol
Exact Mass222.12
IUPAC Name2-methyl-2-(propylsulfamoylamino)propanimidamide
SMILES[H]/N=C(\N)C(C)(C)NS(=O)(=O)NCCC
InChIInChI=1S/C7H18N4O2S/c1-4-5-10-14(12,13)11-7(2,3)6(8)9/h10-11H,4-5H2,1-3H3,(H3,8,9)
InChIKeyWDYBNOPMBFOLTG-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-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 114813180
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-[[Methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 64415441
2-(tert-butylsulfamoylamino)-N'-hydroxypropanimidamide
CID 104978264
N'-hydroxy-2-methyl-2-(methylsulfamoylamino)propanimidamide
CID 104978288
N'-hydroxy-2-methyl-2-(propylsulfamoylamino)propanimidamide
CID 104978290
2-(ethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
CID 104978291
N'-hydroxy-2-methyl-2-(propan-2-ylsulfamoylamino)propanimidamide
CID 104978292
2-(tert-butylsulfamoylamino)-N'-hydroxyethanimidamide
CID 104978307

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propylsulfamoylamino)propanimidamide?
The IUPAC name of 2-methyl-2-(propylsulfamoylamino)propanimidamide (CID 114813183) is 2-methyl-2-(propylsulfamoylamino)propanimidamide.
What is the SMILES notation for 2-methyl-2-(propylsulfamoylamino)propanimidamide?
The canonical SMILES for 2-methyl-2-(propylsulfamoylamino)propanimidamide is [H]/N=C(\N)C(C)(C)NS(=O)(=O)NCCC.
What is the InChIKey of 2-methyl-2-(propylsulfamoylamino)propanimidamide?
The InChIKey is WDYBNOPMBFOLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O2S/c1-4-5-10-14(12,13)11-7(2,3)6(8)9/h10-11H,4-5H2,1-3H3,(H3,8,9).
What are the key properties of 2-methyl-2-(propylsulfamoylamino)propanimidamide?
2-methyl-2-(propylsulfamoylamino)propanimidamide 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-methyl-2-(propylsulfamoylamino)propanimidamide is sourced from PubChem (CID 114813183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).