3-(dimethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide

C7H18N4O3S — CID 104873865

IUPAC3-(dimethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
SMILESCN(C)S(=O)(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C7H18N4O3S/c1-7(2,6(8)10-12)5-9-15(13,14)11(3)4/h9,12H,5H2,1-4H3,(H2,8,10)
InChIKeyDGLQCJYYTNSMLB-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.85
Rot. Bonds5

About 3-(dimethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide

3-(dimethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide (PubChem CID 104873865) has the molecular formula C7H18N4O3S and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-(dimethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide.

Molecular Properties

Compound Name3-(dimethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
PubChem CID104873865
Molecular FormulaC7H18N4O3S
Molecular Weight238.31 g/mol
Exact Mass238.11
IUPAC Name3-(dimethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
SMILESCN(C)S(=O)(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C7H18N4O3S/c1-7(2,6(8)10-12)5-9-15(13,14)11(3)4/h9,12H,5H2,1-4H3,(H2,8,10)
InChIKeyDGLQCJYYTNSMLB-UHFFFAOYSA-N
XLogP-0.85
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
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

3-[dimethylsulfamoyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910963
N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 76953187
3-(dimethylsulfamoylamino)-N'-hydroxypropanimidamide
CID 76953191
3-(dimethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
CID 76953214
3-(diethylsulfamoylamino)-N'-hydroxypropanimidamide
CID 76953247
3-(diethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
CID 76953317
4-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide
CID 76953329
N'-hydroxy-2,2-dimethyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 104873849
N'-hydroxy-2,2-dimethyl-3-(pyrrolidin-1-ylsulfonylamino)propanimidamide
CID 104873859
N'-hydroxy-3-[methyl(methylsulfamoyl)amino]propanimidamide
CID 104978249
N'-hydroxy-3-[methyl(propylsulfamoyl)amino]propanimidamide
CID 104978251
3-[ethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide
CID 104978253

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide?
The IUPAC name of 3-(dimethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide (CID 104873865) is 3-(dimethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide.
What is the SMILES notation for 3-(dimethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide?
The canonical SMILES for 3-(dimethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide is CN(C)S(=O)(=O)NCC(C)(C)C(N)=NO.
What is the InChIKey of 3-(dimethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide?
The InChIKey is DGLQCJYYTNSMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O3S/c1-7(2,6(8)10-12)5-9-15(13,14)11(3)4/h9,12H,5H2,1-4H3,(H2,8,10).
What are the key properties of 3-(dimethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide?
3-(dimethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide has a molecular weight of 238.31 g/mol, XLogP of -0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide is sourced from PubChem (CID 104873865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).