2-(4-fluorophenyl)sulfanyl-N'-propan-2-ylethanimidamide

C11H15FN2S — CID 66065738

IUPAC2-(4-fluorophenyl)sulfanyl-N'-propan-2-ylethanimidamide
SMILESCC(C)/N=C(\N)CSc1ccc(F)cc1
InChIInChI=1S/C11H15FN2S/c1-8(2)14-11(13)7-15-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3,(H2,13,14)
InChIKeyJQWPGJVDPUIZLP-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.68
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-N'-propan-2-ylethanimidamide

2-(4-fluorophenyl)sulfanyl-N'-propan-2-ylethanimidamide (PubChem CID 66065738) has the molecular formula C11H15FN2S and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N'-propan-2-ylethanimidamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N'-propan-2-ylethanimidamide
PubChem CID66065738
Molecular FormulaC11H15FN2S
Molecular Weight226.32 g/mol
Exact Mass226.09
IUPAC Name2-(4-fluorophenyl)sulfanyl-N'-propan-2-ylethanimidamide
SMILESCC(C)/N=C(\N)CSc1ccc(F)cc1
InChIInChI=1S/C11H15FN2S/c1-8(2)14-11(13)7-15-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3,(H2,13,14)
InChIKeyJQWPGJVDPUIZLP-UHFFFAOYSA-N
XLogP2.68
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N'-methylethanimidamide
CID 66065532
N'-ethyl-2-(4-fluorophenyl)sulfanylethanimidamide
CID 66065533
2-(4-fluorophenyl)sulfanyl-N'-propylethanimidamide
CID 66065534
(2S)-1-(4-fluorophenyl)sulfanylpropan-2-amine
CID 95436389
1-[amino-[3-(4-fluorophenyl)sulfanylpropoxyamino]methylidene]-2-propan-2-ylguanidine;hydrochloride
CID 75308362
N'-amino-2-(4-methylphenyl)sulfanylethanimidamide
CID 77111884
1-ethylsulfanyl-4-fluorobenzene;methanol
CID 178124027
2-(4-fluorophenyl)sulfanylacetate
CID 4115535
1-(4-fluorophenyl)sulfanyl-3-methylbut-3-en-2-one
CID 79189606
2-(4-aminophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43299114
3-[[2-(4-fluorophenyl)sulfanylacetyl]amino]butanoic acid
CID 43240732
1-(4-fluorophenyl)sulfanyl-4-methylheptan-2-one
CID 66070133

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N'-propan-2-ylethanimidamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N'-propan-2-ylethanimidamide (CID 66065738) is 2-(4-fluorophenyl)sulfanyl-N'-propan-2-ylethanimidamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N'-propan-2-ylethanimidamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N'-propan-2-ylethanimidamide is CC(C)/N=C(\N)CSc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N'-propan-2-ylethanimidamide?
The InChIKey is JQWPGJVDPUIZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2S/c1-8(2)14-11(13)7-15-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3,(H2,13,14).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N'-propan-2-ylethanimidamide?
2-(4-fluorophenyl)sulfanyl-N'-propan-2-ylethanimidamide has a molecular weight of 226.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N'-propan-2-ylethanimidamide is sourced from PubChem (CID 66065738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).