2-[1-[(2-fluorophenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide

C12H15FN2OS — CID 77070840

IUPAC2-[1-[(2-fluorophenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESNC(CC1(CSc2ccccc2F)CC1)=NO
InChIInChI=1S/C12H15FN2OS/c13-9-3-1-2-4-10(9)17-8-12(5-6-12)7-11(14)15-16/h1-4,16H,5-8H2,(H2,14,15)
InChIKeyLCLSLCPJGROWJJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.83
Rot. Bonds5

About 2-[1-[(2-fluorophenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[(2-fluorophenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 77070840) has the molecular formula C12H15FN2OS and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID77070840
Molecular FormulaC12H15FN2OS
Molecular Weight254.33 g/mol
Exact Mass254.09
IUPAC Name2-[1-[(2-fluorophenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESNC(CC1(CSc2ccccc2F)CC1)=NO
InChIInChI=1S/C12H15FN2OS/c13-9-3-1-2-4-10(9)17-8-12(5-6-12)7-11(14)15-16/h1-4,16H,5-8H2,(H2,14,15)
InChIKeyLCLSLCPJGROWJJ-UHFFFAOYSA-N
XLogP2.83
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.83
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

4-(4-Fluorophenyl)sulfanylbutanimidamide
CID 20314609
4-(4-fluorophenyl)sulfinyl-N'-hydroxybutanimidamide
CID 53967960
4-(4-fluorophenyl)sulfanyl-N'-hydroxybutanimidamide
CID 54228806
3-(4-fluorophenyl)sulfinyl-N'-hydroxypropanimidamide
CID 54250519
3-(4-fluorophenyl)sulfanyl-N'-hydroxypropanimidamide
CID 54378119
N'-hydroxy-2-phenylsulfanylethanimidamide
CID 9588373
4-(4-fluorophenyl)sulfanyl-N'-hydroxybutanimidamide
CID 20314606
2-[(4-fluorophenyl)sulfanyl]-N-hydroxyethanimidamide
CID 21494988
4-(2-Fluorophenyl)sulfanylbutanimidamide
CID 28404314
2-(2,4-difluorophenyl)sulfanyl-N'-hydroxyethanimidamide
CID 43090902
4-(2,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide
CID 43167562
3-(3,4-difluorophenyl)sulfanyl-N'-hydroxy-2-methylpropanimidamide
CID 43175419

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[(2-fluorophenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 77070840) is 2-[1-[(2-fluorophenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[(2-fluorophenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide is NC(CC1(CSc2ccccc2F)CC1)=NO.
What is the InChIKey of 2-[1-[(2-fluorophenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is LCLSLCPJGROWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2OS/c13-9-3-1-2-4-10(9)17-8-12(5-6-12)7-11(14)15-16/h1-4,16H,5-8H2,(H2,14,15).
What are the key properties of 2-[1-[(2-fluorophenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[(2-fluorophenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 254.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77070840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).