N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide

C7H18N4O3S — CID 76929317

IUPACN'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
SMILESCC(C)N(C)S(=O)(=O)N(C)CC(N)=NO
InChIInChI=1S/C7H18N4O3S/c1-6(2)11(4)15(13,14)10(3)5-7(8)9-12/h6,12H,5H2,1-4H3,(H2,8,9)
InChIKeyRYFWTLLOHQUVRP-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.75
Rot. Bonds5

About N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide

N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide (PubChem CID 76929317) has the molecular formula C7H18N4O3S and a molecular weight of 238.31 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
PubChem CID76929317
Molecular FormulaC7H18N4O3S
Molecular Weight238.31 g/mol
Exact Mass238.11
IUPAC NameN'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
SMILESCC(C)N(C)S(=O)(=O)N(C)CC(N)=NO
InChIInChI=1S/C7H18N4O3S/c1-6(2)11(4)15(13,14)10(3)5-7(8)9-12/h6,12H,5H2,1-4H3,(H2,8,9)
InChIKeyRYFWTLLOHQUVRP-UHFFFAOYSA-N
XLogP-0.75
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
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-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide
CID 104978543
N'-hydroxy-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 113637624
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide
CID 54947205
2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 55202949
N'-hydroxy-3-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 61453563
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 61453639
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 61453640
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
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]-propylamino]ethanimidamide
CID 61876797
2-[Ethyl-[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 64405684
2-[[Methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 64406503

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide (CID 76929317) is N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide is CC(C)N(C)S(=O)(=O)N(C)CC(N)=NO.
What is the InChIKey of N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide?
The InChIKey is RYFWTLLOHQUVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O3S/c1-6(2)11(4)15(13,14)10(3)5-7(8)9-12/h6,12H,5H2,1-4H3,(H2,8,9).
What are the key properties of N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide?
N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide has a molecular weight of 238.31 g/mol, XLogP of -0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide is sourced from PubChem (CID 76929317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).