3-(4-fluorophenyl)sulfanyl-N'-hydroxypropanimidamide

C9H11FN2OS — CID 54378119

IUPAC3-(4-fluorophenyl)sulfanyl-N'-hydroxypropanimidamide
SMILESNC(CCSc1ccc(F)cc1)=NO
InChIInChI=1S/C9H11FN2OS/c10-7-1-3-8(4-2-7)14-6-5-9(11)12-13/h1-4,13H,5-6H2,(H2,11,12)
InChIKeyUXZPBZZQWULYHW-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.05
Rot. Bonds4

About 3-(4-fluorophenyl)sulfanyl-N'-hydroxypropanimidamide

3-(4-fluorophenyl)sulfanyl-N'-hydroxypropanimidamide (PubChem CID 54378119) has the molecular formula C9H11FN2OS and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-N'-hydroxypropanimidamide
PubChem CID54378119
Molecular FormulaC9H11FN2OS
Molecular Weight214.27 g/mol
Exact Mass214.06
IUPAC Name3-(4-fluorophenyl)sulfanyl-N'-hydroxypropanimidamide
SMILESNC(CCSc1ccc(F)cc1)=NO
InChIInChI=1S/C9H11FN2OS/c10-7-1-3-8(4-2-7)14-6-5-9(11)12-13/h1-4,13H,5-6H2,(H2,11,12)
InChIKeyUXZPBZZQWULYHW-UHFFFAOYSA-N
XLogP2.05
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.05
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
2-(Phenylthio)ethanimidamide hydrochloride
CID 2746028
ACMC-20aomf
CID 9648268
2-(4-fluorobenzenesulfonyl)-N'-hydroxyethanimidamide
CID 2737258
(E)-N'-hydroxy-2-(phenylsulfonyl)acetimidamide
CID 5702783
2-Phenylsulfanylethanimidamide
CID 2746029
Ethanimidamide, N-hydroxy-2-(phenylthio)-, monohydrochloride
CID 9588372
Ethanimidamide, N-hydroxy-2-((4-(methylthio)phenyl)thio)-, monohydrochloride
CID 9588383
Ethanimidamide, 2-((4-(ethylthio)phenyl)thio)-N-hydroxy-, monohydrochloride
CID 9588385
CID 5702871
CID 5702871

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-N'-hydroxypropanimidamide?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-N'-hydroxypropanimidamide (CID 54378119) is 3-(4-fluorophenyl)sulfanyl-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-N'-hydroxypropanimidamide is NC(CCSc1ccc(F)cc1)=NO.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-N'-hydroxypropanimidamide?
The InChIKey is UXZPBZZQWULYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2OS/c10-7-1-3-8(4-2-7)14-6-5-9(11)12-13/h1-4,13H,5-6H2,(H2,11,12).
What are the key properties of 3-(4-fluorophenyl)sulfanyl-N'-hydroxypropanimidamide?
3-(4-fluorophenyl)sulfanyl-N'-hydroxypropanimidamide has a molecular weight of 214.27 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-N'-hydroxypropanimidamide is sourced from PubChem (CID 54378119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).