N'-tert-butyl-2-(4-fluorophenyl)sulfanylethanimidamide

C12H17FN2S — CID 66065740

IUPACN'-tert-butyl-2-(4-fluorophenyl)sulfanylethanimidamide
SMILESCC(C)(C)/N=C(\N)CSc1ccc(F)cc1
InChIInChI=1S/C12H17FN2S/c1-12(2,3)15-11(14)8-16-10-6-4-9(13)5-7-10/h4-7H,8H2,1-3H3,(H2,14,15)
InChIKeyXYYPYTRTZYSPQR-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.07
Rot. Bonds3

About N'-tert-butyl-2-(4-fluorophenyl)sulfanylethanimidamide

N'-tert-butyl-2-(4-fluorophenyl)sulfanylethanimidamide (PubChem CID 66065740) has the molecular formula C12H17FN2S and a molecular weight of 240.35 g/mol. Its IUPAC name is N'-tert-butyl-2-(4-fluorophenyl)sulfanylethanimidamide.

Molecular Properties

Compound NameN'-tert-butyl-2-(4-fluorophenyl)sulfanylethanimidamide
PubChem CID66065740
Molecular FormulaC12H17FN2S
Molecular Weight240.35 g/mol
Exact Mass240.11
IUPAC NameN'-tert-butyl-2-(4-fluorophenyl)sulfanylethanimidamide
SMILESCC(C)(C)/N=C(\N)CSc1ccc(F)cc1
InChIInChI=1S/C12H17FN2S/c1-12(2,3)15-11(14)8-16-10-6-4-9(13)5-7-10/h4-7H,8H2,1-3H3,(H2,14,15)
InChIKeyXYYPYTRTZYSPQR-UHFFFAOYSA-N
XLogP3.07
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.07
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-Phenylsulfanylethanimidamide
CID 2746029
4-(4-Fluorophenyl)sulfanylbutanimidamide
CID 20314609
2-(2-Fluorophenyl)sulfanylethanimidamide
CID 28404306
3-(4-fluorophenyl)sulfanyl-N'-hydroxypropanimidamide
CID 54378119
2-(2-Fluorophenyl)sulfanylpropanimidamide
CID 61691738
2-(4-Fluorophenylthio]ethyl-1-methyl-ethanamine
CID 86740885
2-(4-Fluorophenyl)sulfanyl-2-methylpropanimidamide
CID 143894496
2-[(4-fluorophenyl)sulfanyl]-N-hydroxyethanimidamide
CID 21494988
3-(2-Fluorophenyl)sulfanylpropanimidamide
CID 28404312
4-(2-Fluorophenyl)sulfanylbutanimidamide
CID 28404314
2-(4-Fluorophenyl)sulfanylethanimidamide
CID 28404437
3-(4-Fluorophenyl)sulfanylpropanimidamide
CID 28404441

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-2-(4-fluorophenyl)sulfanylethanimidamide?
The IUPAC name of N'-tert-butyl-2-(4-fluorophenyl)sulfanylethanimidamide (CID 66065740) is N'-tert-butyl-2-(4-fluorophenyl)sulfanylethanimidamide.
What is the SMILES notation for N'-tert-butyl-2-(4-fluorophenyl)sulfanylethanimidamide?
The canonical SMILES for N'-tert-butyl-2-(4-fluorophenyl)sulfanylethanimidamide is CC(C)(C)/N=C(\N)CSc1ccc(F)cc1.
What is the InChIKey of N'-tert-butyl-2-(4-fluorophenyl)sulfanylethanimidamide?
The InChIKey is XYYPYTRTZYSPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2S/c1-12(2,3)15-11(14)8-16-10-6-4-9(13)5-7-10/h4-7H,8H2,1-3H3,(H2,14,15).
What are the key properties of N'-tert-butyl-2-(4-fluorophenyl)sulfanylethanimidamide?
N'-tert-butyl-2-(4-fluorophenyl)sulfanylethanimidamide has a molecular weight of 240.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-2-(4-fluorophenyl)sulfanylethanimidamide is sourced from PubChem (CID 66065740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).