N'-hydroxy-2-[methyl(methylsulfonyl)amino]ethanimidamide

C4H11N3O3S — CID 76928925

IUPACN'-hydroxy-2-[methyl(methylsulfonyl)amino]ethanimidamide
SMILESCN(CC(N)=NO)S(C)(=O)=O
InChIInChI=1S/C4H11N3O3S/c1-7(11(2,9)10)3-4(5)6-8/h8H,3H2,1-2H3,(H2,5,6)
InChIKeyIRYAILSOOZERFR-UHFFFAOYSA-N
MW181.22 g/mol
LogP-1.38
Rot. Bonds3

About N'-hydroxy-2-[methyl(methylsulfonyl)amino]ethanimidamide

N'-hydroxy-2-[methyl(methylsulfonyl)amino]ethanimidamide (PubChem CID 76928925) has the molecular formula C4H11N3O3S and a molecular weight of 181.22 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(methylsulfonyl)amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(methylsulfonyl)amino]ethanimidamide
PubChem CID76928925
Molecular FormulaC4H11N3O3S
Molecular Weight181.22 g/mol
Exact Mass181.05
IUPAC NameN'-hydroxy-2-[methyl(methylsulfonyl)amino]ethanimidamide
SMILESCN(CC(N)=NO)S(C)(=O)=O
InChIInChI=1S/C4H11N3O3S/c1-7(11(2,9)10)3-4(5)6-8/h8H,3H2,1-2H3,(H2,5,6)
InChIKeyIRYAILSOOZERFR-UHFFFAOYSA-N
XLogP-1.38
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 5-1.38
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl(methylsulfonyl)amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl(methylsulfonyl)amino]ethanimidamide (CID 76928925) is N'-hydroxy-2-[methyl(methylsulfonyl)amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(methylsulfonyl)amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(methylsulfonyl)amino]ethanimidamide is CN(CC(N)=NO)S(C)(=O)=O.
What is the InChIKey of N'-hydroxy-2-[methyl(methylsulfonyl)amino]ethanimidamide?
The InChIKey is IRYAILSOOZERFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O3S/c1-7(11(2,9)10)3-4(5)6-8/h8H,3H2,1-2H3,(H2,5,6).
What are the key properties of N'-hydroxy-2-[methyl(methylsulfonyl)amino]ethanimidamide?
N'-hydroxy-2-[methyl(methylsulfonyl)amino]ethanimidamide has a molecular weight of 181.22 g/mol, XLogP of -1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl(methylsulfonyl)amino]ethanimidamide is sourced from PubChem (CID 76928925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).