2-[1-[(4-fluorophenyl)sulfanylmethyl]cyclopropyl]ethanimidamide

C12H15FN2S — CID 65492573

IUPAC2-[1-[(4-fluorophenyl)sulfanylmethyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CSc2ccc(F)cc2)CC1
InChIInChI=1S/C12H15FN2S/c13-9-1-3-10(4-2-9)16-8-12(5-6-12)7-11(14)15/h1-4H,5-8H2,(H3,14,15)
InChIKeyABJSTBIKNXZDSP-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.02
Rot. Bonds5

About 2-[1-[(4-fluorophenyl)sulfanylmethyl]cyclopropyl]ethanimidamide

2-[1-[(4-fluorophenyl)sulfanylmethyl]cyclopropyl]ethanimidamide (PubChem CID 65492573) has the molecular formula C12H15FN2S and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)sulfanylmethyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)sulfanylmethyl]cyclopropyl]ethanimidamide
PubChem CID65492573
Molecular FormulaC12H15FN2S
Molecular Weight238.33 g/mol
Exact Mass238.09
IUPAC Name2-[1-[(4-fluorophenyl)sulfanylmethyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CSc2ccc(F)cc2)CC1
InChIInChI=1S/C12H15FN2S/c13-9-1-3-10(4-2-9)16-8-12(5-6-12)7-11(14)15/h1-4H,5-8H2,(H3,14,15)
InChIKeyABJSTBIKNXZDSP-UHFFFAOYSA-N
XLogP3.02
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
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-[1-[(3-methylphenyl)sulfanylmethyl]cyclopropyl]ethanimidamide
CID 65494236
2-[1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide
CID 65495003
2-[1-[(4-fluoro-N-methylanilino)methyl]cyclopropyl]ethanimidamide
CID 65493980
2-[1-(2-hydroxyethylsulfanylmethyl)cyclopropyl]ethanimidamide
CID 65493403
2-[1-(ethylsulfanylmethyl)cyclopropyl]ethanimidamide
CID 65494849
2-[1-[(2-bromo-4-fluorophenoxy)methyl]cyclopropyl]ethanimidamide
CID 65492145
2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]cyclopropyl]ethanimidamide
CID 106922957
2-[1-(aminomethyl)cyclopropyl]ethanimidamide
CID 164644290
2-[1-[(2-fluoro-4-nitrophenoxy)methyl]cyclopropyl]ethanimidamide
CID 65493595
2-[1-[(4-acetylphenyl)sulfanylmethyl]cyclopropyl]acetic acid
CID 65441958
2-[1-[(4-propan-2-ylphenyl)sulfanylmethyl]cyclopropyl]acetic acid
CID 65496784
2-(4-bromophenyl)sulfanylethanimidamide
CID 21494996

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)sulfanylmethyl]cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-[(4-fluorophenyl)sulfanylmethyl]cyclopropyl]ethanimidamide (CID 65492573) is 2-[1-[(4-fluorophenyl)sulfanylmethyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)sulfanylmethyl]cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-[(4-fluorophenyl)sulfanylmethyl]cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(CSc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)sulfanylmethyl]cyclopropyl]ethanimidamide?
The InChIKey is ABJSTBIKNXZDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2S/c13-9-1-3-10(4-2-9)16-8-12(5-6-12)7-11(14)15/h1-4H,5-8H2,(H3,14,15).
What are the key properties of 2-[1-[(4-fluorophenyl)sulfanylmethyl]cyclopropyl]ethanimidamide?
2-[1-[(4-fluorophenyl)sulfanylmethyl]cyclopropyl]ethanimidamide has a molecular weight of 238.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)sulfanylmethyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 65492573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).