2-(benzenesulfinyl)-N'-hydroxyethanimidamide

C8H10N2O2S — CID 4123378

IUPAC2-(benzenesulfinyl)-N'-hydroxyethanimidamide
SMILESNC(CS(=O)c1ccccc1)=NO
InChIInChI=1S/C8H10N2O2S/c9-8(10-11)6-13(12)7-4-2-1-3-5-7/h1-5,11H,6H2,(H2,9,10)
InChIKeyTVKYGAOWCSLWRX-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.54
Rot. Bonds3

About 2-(benzenesulfinyl)-N'-hydroxyethanimidamide

2-(benzenesulfinyl)-N'-hydroxyethanimidamide (PubChem CID 4123378) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(benzenesulfinyl)-N'-hydroxyethanimidamide
PubChem CID4123378
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name2-(benzenesulfinyl)-N'-hydroxyethanimidamide
SMILESNC(CS(=O)c1ccccc1)=NO
InChIInChI=1S/C8H10N2O2S/c9-8(10-11)6-13(12)7-4-2-1-3-5-7/h1-5,11H,6H2,(H2,9,10)
InChIKeyTVKYGAOWCSLWRX-UHFFFAOYSA-N
XLogP0.54
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-((4-Fluorophenyl)sulfonyl)-N-hydroxyacetimidamide
CID 9580384
2-(benzenesulfonyl)-N'-hydroxyethanimidamide
CID 2735439
N-Hydroxy-2-(phenylsulfonyl)ethanimidamide
CID 9580370
(2E)-1-(Phenylsulfonyl)acetone oxime
CID 9615976
2-(Phenylthio)ethanimidamide hydrochloride
CID 2746028
2-(4-chlorophenyl)sulfonyl-N'-hydroxyethanimidamide
CID 9583104
ACMC-20aomf
CID 9648268
2-(4-fluorobenzenesulfonyl)-N'-hydroxyethanimidamide
CID 2737258
(E)-N'-hydroxy-2-(phenylsulfonyl)acetimidamide
CID 5702783
[(E)-(1-amino-2-propylsulfonylethylidene)amino] 2,4-difluorobenzenesulfonate
CID 5715523
2-Phenylsulfanylethanimidamide
CID 2746029
Ethanimidamide, N-hydroxy-2-(phenylthio)-, monohydrochloride
CID 9588372

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(benzenesulfinyl)-N'-hydroxyethanimidamide (CID 4123378) is 2-(benzenesulfinyl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(benzenesulfinyl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(benzenesulfinyl)-N'-hydroxyethanimidamide is NC(CS(=O)c1ccccc1)=NO.
What is the InChIKey of 2-(benzenesulfinyl)-N'-hydroxyethanimidamide?
The InChIKey is TVKYGAOWCSLWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c9-8(10-11)6-13(12)7-4-2-1-3-5-7/h1-5,11H,6H2,(H2,9,10).
What are the key properties of 2-(benzenesulfinyl)-N'-hydroxyethanimidamide?
2-(benzenesulfinyl)-N'-hydroxyethanimidamide has a molecular weight of 198.25 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 4123378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).