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

C7H18N4O3S — CID 104978575

IUPAC3-(ethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
SMILESCCNS(=O)(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C7H18N4O3S/c1-4-9-15(13,14)10-5-7(2,3)6(8)11-12/h9-10,12H,4-5H2,1-3H3,(H2,8,11)
InChIKeyRKGHVFNDMSCGEX-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.80
Rot. Bonds6

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

3-(ethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide (PubChem CID 104978575) has the molecular formula C7H18N4O3S and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-(ethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide.

Molecular Properties

Compound Name3-(ethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
PubChem CID104978575
Molecular FormulaC7H18N4O3S
Molecular Weight238.31 g/mol
Exact Mass238.11
IUPAC Name3-(ethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
SMILESCCNS(=O)(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C7H18N4O3S/c1-4-9-15(13,14)10-5-7(2,3)6(8)11-12/h9-10,12H,4-5H2,1-3H3,(H2,8,11)
InChIKeyRKGHVFNDMSCGEX-UHFFFAOYSA-N
XLogP-0.80
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.80
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-2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 104978574
3-(dimethylsulfamoylamino)-N'-hydroxypropanimidamide
CID 76953191
3-(dimethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
CID 76953214
3-(diethylsulfamoylamino)-N'-hydroxypropanimidamide
CID 76953247
N'-hydroxy-2,2-dimethyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 104873849
3-(dimethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
CID 104873865
N'-hydroxy-3-[methyl(propylsulfamoyl)amino]propanimidamide
CID 104978251
3-[ethylsulfamoyl(methyl)amino]-N'-hydroxypropanimidamide
CID 104978253
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
N'-hydroxy-2-methyl-3-[methyl(methylsulfamoyl)amino]propanimidamide
CID 104978360

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide?
The IUPAC name of 3-(ethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide (CID 104978575) is 3-(ethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide.
What is the SMILES notation for 3-(ethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide?
The canonical SMILES for 3-(ethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide is CCNS(=O)(=O)NCC(C)(C)C(N)=NO.
What is the InChIKey of 3-(ethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide?
The InChIKey is RKGHVFNDMSCGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O3S/c1-4-9-15(13,14)10-5-7(2,3)6(8)11-12/h9-10,12H,4-5H2,1-3H3,(H2,8,11).
What are the key properties of 3-(ethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide?
3-(ethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide has a molecular weight of 238.31 g/mol, XLogP of -0.80, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoylamino)-N'-hydroxy-2,2-dimethylpropanimidamide is sourced from PubChem (CID 104978575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).