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

C5H14N4O3S — CID 104978391

IUPAC2-[ethyl(methylsulfamoyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)S(=O)(=O)NC
InChIInChI=1S/C5H14N4O3S/c1-3-9(4-5(6)8-10)13(11,12)7-2/h7,10H,3-4H2,1-2H3,(H2,6,8)
InChIKeyMFEOJSCXCKSILK-UHFFFAOYSA-N
MW210.26 g/mol
LogP-1.48
Rot. Bonds5

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

2-[ethyl(methylsulfamoyl)amino]-N'-hydroxyethanimidamide (PubChem CID 104978391) has the molecular formula C5H14N4O3S and a molecular weight of 210.26 g/mol. Its IUPAC name is 2-[ethyl(methylsulfamoyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[ethyl(methylsulfamoyl)amino]-N'-hydroxyethanimidamide
PubChem CID104978391
Molecular FormulaC5H14N4O3S
Molecular Weight210.26 g/mol
Exact Mass210.08
IUPAC Name2-[ethyl(methylsulfamoyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)S(=O)(=O)NC
InChIInChI=1S/C5H14N4O3S/c1-3-9(4-5(6)8-10)13(11,12)7-2/h7,10H,3-4H2,1-2H3,(H2,6,8)
InChIKeyMFEOJSCXCKSILK-UHFFFAOYSA-N
XLogP-1.48
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 5-1.48
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

2-[diethylsulfamoyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 76928839
2-[ethyl(methylsulfonyl)amino]-N'-hydroxyethanimidamide
CID 76929222
2-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide
CID 76928932
methyl 2-[ethyl(methylsulfamoyl)amino]acetate
CID 114811545
2-[cyclopentylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 105361603
N'-hydroxy-3-[methyl(methylsulfamoyl)amino]butanimidamide
CID 104978448
N'-hydroxy-2-[2-methylpropylsulfamoyl(propyl)amino]ethanimidamide
CID 104978790
methyl N-[(3-amino-3-hydroxyiminopropyl)-ethylsulfamoyl]carbamate
CID 104929328
2-[2,2-dimethylpropylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 77045063
3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 76910450
3-[diethylsulfamoyl(methyl)amino]-N'-hydroxybutanimidamide
CID 76987881
2-(diethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide
CID 77038489

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methylsulfamoyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[ethyl(methylsulfamoyl)amino]-N'-hydroxyethanimidamide (CID 104978391) is 2-[ethyl(methylsulfamoyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[ethyl(methylsulfamoyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[ethyl(methylsulfamoyl)amino]-N'-hydroxyethanimidamide is CCN(CC(N)=NO)S(=O)(=O)NC.
What is the InChIKey of 2-[ethyl(methylsulfamoyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is MFEOJSCXCKSILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4O3S/c1-3-9(4-5(6)8-10)13(11,12)7-2/h7,10H,3-4H2,1-2H3,(H2,6,8).
What are the key properties of 2-[ethyl(methylsulfamoyl)amino]-N'-hydroxyethanimidamide?
2-[ethyl(methylsulfamoyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 210.26 g/mol, XLogP of -1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methylsulfamoyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 104978391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).