2-[ethyl(methylsulfonyl)amino]-N'-hydroxyethanimidamide

C5H13N3O3S — CID 76929222

IUPAC2-[ethyl(methylsulfonyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)S(C)(=O)=O
InChIInChI=1S/C5H13N3O3S/c1-3-8(12(2,10)11)4-5(6)7-9/h9H,3-4H2,1-2H3,(H2,6,7)
InChIKeyWLDQIUHBLNTQGQ-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.99
Rot. Bonds4

About 2-[ethyl(methylsulfonyl)amino]-N'-hydroxyethanimidamide

2-[ethyl(methylsulfonyl)amino]-N'-hydroxyethanimidamide (PubChem CID 76929222) has the molecular formula C5H13N3O3S and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-[ethyl(methylsulfonyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[ethyl(methylsulfonyl)amino]-N'-hydroxyethanimidamide
PubChem CID76929222
Molecular FormulaC5H13N3O3S
Molecular Weight195.24 g/mol
Exact Mass195.07
IUPAC Name2-[ethyl(methylsulfonyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)S(C)(=O)=O
InChIInChI=1S/C5H13N3O3S/c1-3-8(12(2,10)11)4-5(6)7-9/h9H,3-4H2,1-2H3,(H2,6,7)
InChIKeyWLDQIUHBLNTQGQ-UHFFFAOYSA-N
XLogP-0.99
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.99
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'}

Analyze 2-[ethyl(methylsulfonyl)amino]-N'-hydroxyethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[diethylsulfamoyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 76928839
2-[ethyl(methylsulfamoyl)amino]-N'-hydroxyethanimidamide
CID 104978391
2-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide
CID 76928932
2-[cyclopentylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 105361603
N'-hydroxy-3-[2-methylpropyl(methylsulfonyl)amino]propanimidamide
CID 76917335
2-[2,2-dimethylpropylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 77045063
3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 76910450
N,N-diethylmethanesulfonamide;ethanesulfonamide
CID 158705788
3-[diethylsulfamoyl(methyl)amino]-N'-hydroxybutanimidamide
CID 76987881
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 76929421
2-[cyclopropylmethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 77052461
N'-hydroxy-2-[2-methylpropylsulfamoyl(propyl)amino]ethanimidamide
CID 104978790

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methylsulfonyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[ethyl(methylsulfonyl)amino]-N'-hydroxyethanimidamide (CID 76929222) is 2-[ethyl(methylsulfonyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[ethyl(methylsulfonyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[ethyl(methylsulfonyl)amino]-N'-hydroxyethanimidamide is CCN(CC(N)=NO)S(C)(=O)=O.
What is the InChIKey of 2-[ethyl(methylsulfonyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is WLDQIUHBLNTQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O3S/c1-3-8(12(2,10)11)4-5(6)7-9/h9H,3-4H2,1-2H3,(H2,6,7).
What are the key properties of 2-[ethyl(methylsulfonyl)amino]-N'-hydroxyethanimidamide?
2-[ethyl(methylsulfonyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 195.24 g/mol, XLogP of -0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methylsulfonyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 76929222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).