2-(4-fluorophenyl)sulfanyl-N'-propylethanimidamide

C11H15FN2S — CID 66065534

IUPAC2-(4-fluorophenyl)sulfanyl-N'-propylethanimidamide
SMILESCCC/N=C(\N)CSc1ccc(F)cc1
InChIInChI=1S/C11H15FN2S/c1-2-7-14-11(13)8-15-10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3,(H2,13,14)
InChIKeyKCRXGOZKSRWHCK-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.68
Rot. Bonds5

About 2-(4-fluorophenyl)sulfanyl-N'-propylethanimidamide

2-(4-fluorophenyl)sulfanyl-N'-propylethanimidamide (PubChem CID 66065534) has the molecular formula C11H15FN2S and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N'-propylethanimidamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N'-propylethanimidamide
PubChem CID66065534
Molecular FormulaC11H15FN2S
Molecular Weight226.32 g/mol
Exact Mass226.09
IUPAC Name2-(4-fluorophenyl)sulfanyl-N'-propylethanimidamide
SMILESCCC/N=C(\N)CSc1ccc(F)cc1
InChIInChI=1S/C11H15FN2S/c1-2-7-14-11(13)8-15-10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3,(H2,13,14)
InChIKeyKCRXGOZKSRWHCK-UHFFFAOYSA-N
XLogP2.68
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

N'-ethyl-2-(4-fluorophenyl)sulfanylethanimidamide
CID 66065533
2-(4-chlorophenyl)sulfanyl-N'-propylethanimidamide
CID 66144205
2-(4-fluorophenyl)sulfanyl-N'-methylethanimidamide
CID 66065532
2-(4-fluorophenyl)sulfanyl-N'-propan-2-ylethanimidamide
CID 66065738
1-(4-fluorophenyl)sulfanylpentan-2-one
CID 62043404
1,1-diethyl-2-[2-(4-fluorophenyl)sulfanylethyl]guanidine;hydroiodide
CID 111811915
1-ethylsulfanyl-4-fluorobenzene;methanol
CID 178124027
1-ethyl-1-(4-fluorophenyl)-2-propylguanidine
CID 62362369
propyl 3-(4-fluorophenyl)sulfanylpropanoate
CID 78907883
N'-amino-2-(4-methylphenyl)sulfanylethanimidamide
CID 77111884
1-(4-ethylphenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]guanidine
CID 111811890
ethyl N-[2-(4-fluorophenyl)sulfanylacetyl]carbamate
CID 2635095

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N'-propylethanimidamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N'-propylethanimidamide (CID 66065534) is 2-(4-fluorophenyl)sulfanyl-N'-propylethanimidamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N'-propylethanimidamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N'-propylethanimidamide is CCC/N=C(\N)CSc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N'-propylethanimidamide?
The InChIKey is KCRXGOZKSRWHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2S/c1-2-7-14-11(13)8-15-10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3,(H2,13,14).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N'-propylethanimidamide?
2-(4-fluorophenyl)sulfanyl-N'-propylethanimidamide has a molecular weight of 226.32 g/mol, XLogP of 2.68, 5 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'-propylethanimidamide is sourced from PubChem (CID 66065534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).