N'-hydroxy-2-methyl-2-(propan-2-ylsulfamoylamino)propanimidamide

C7H18N4O3S — CID 104978292

IUPACN'-hydroxy-2-methyl-2-(propan-2-ylsulfamoylamino)propanimidamide
SMILESCC(C)NS(=O)(=O)NC(C)(C)C(N)=NO
InChIInChI=1S/C7H18N4O3S/c1-5(2)10-15(13,14)11-7(3,4)6(8)9-12/h5,10-12H,1-4H3,(H2,8,9)
InChIKeyCHCDARHPTOVDQE-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.66
Rot. Bonds5

About N'-hydroxy-2-methyl-2-(propan-2-ylsulfamoylamino)propanimidamide

N'-hydroxy-2-methyl-2-(propan-2-ylsulfamoylamino)propanimidamide (PubChem CID 104978292) has the molecular formula C7H18N4O3S and a molecular weight of 238.31 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-2-(propan-2-ylsulfamoylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-2-(propan-2-ylsulfamoylamino)propanimidamide
PubChem CID104978292
Molecular FormulaC7H18N4O3S
Molecular Weight238.31 g/mol
Exact Mass238.11
IUPAC NameN'-hydroxy-2-methyl-2-(propan-2-ylsulfamoylamino)propanimidamide
SMILESCC(C)NS(=O)(=O)NC(C)(C)C(N)=NO
InChIInChI=1S/C7H18N4O3S/c1-5(2)10-15(13,14)11-7(3,4)6(8)9-12/h5,10-12H,1-4H3,(H2,8,9)
InChIKeyCHCDARHPTOVDQE-UHFFFAOYSA-N
XLogP-0.66
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 113637608
N'-hydroxy-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 54947256
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 61453639
N'-hydroxy-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 61453675
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 61453718
2-(dimethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide
CID 77038497
2-(cyclopropylsulfamoylamino)-N'-hydroxypropanimidamide
CID 104978262
N'-hydroxy-2-(methylsulfamoylamino)propanimidamide
CID 104978263
2-(tert-butylsulfamoylamino)-N'-hydroxypropanimidamide
CID 104978264
N'-hydroxy-2-(propylsulfamoylamino)propanimidamide
CID 104978265
2-(ethylsulfamoylamino)-N'-hydroxypropanimidamide
CID 104978267
N'-hydroxy-2-(propan-2-ylsulfamoylamino)propanimidamide
CID 104978268

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-2-(propan-2-ylsulfamoylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-2-(propan-2-ylsulfamoylamino)propanimidamide (CID 104978292) is N'-hydroxy-2-methyl-2-(propan-2-ylsulfamoylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-2-(propan-2-ylsulfamoylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-2-(propan-2-ylsulfamoylamino)propanimidamide is CC(C)NS(=O)(=O)NC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-2-(propan-2-ylsulfamoylamino)propanimidamide?
The InChIKey is CHCDARHPTOVDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O3S/c1-5(2)10-15(13,14)11-7(3,4)6(8)9-12/h5,10-12H,1-4H3,(H2,8,9).
What are the key properties of N'-hydroxy-2-methyl-2-(propan-2-ylsulfamoylamino)propanimidamide?
N'-hydroxy-2-methyl-2-(propan-2-ylsulfamoylamino)propanimidamide has a molecular weight of 238.31 g/mol, XLogP of -0.66, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-2-(propan-2-ylsulfamoylamino)propanimidamide is sourced from PubChem (CID 104978292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).