[(Z)-3-(4-fluorophenyl)-1-(methylideneamino)prop-1-en-2-yl]sulfanylmethanamine

C11H13FN2S — CID 146477765

IUPAC[(Z)-3-(4-fluorophenyl)-1-(methylideneamino)prop-1-en-2-yl]sulfanylmethanamine
SMILESC=N/C=C(/Cc1ccc(F)cc1)SCN
InChIInChI=1S/C11H13FN2S/c1-14-7-11(15-8-13)6-9-2-4-10(12)5-3-9/h2-5,7H,1,6,8,13H2/b11-7-
InChIKeyXOUJTAPKZLICNI-XFFZJAGNSA-N
MW224.30 g/mol
LogP2.56
Rot. Bonds5

About [(Z)-3-(4-fluorophenyl)-1-(methylideneamino)prop-1-en-2-yl]sulfanylmethanamine

[(Z)-3-(4-fluorophenyl)-1-(methylideneamino)prop-1-en-2-yl]sulfanylmethanamine (PubChem CID 146477765) has the molecular formula C11H13FN2S and a molecular weight of 224.30 g/mol. Its IUPAC name is [(Z)-3-(4-fluorophenyl)-1-(methylideneamino)prop-1-en-2-yl]sulfanylmethanamine.

Molecular Properties

Compound Name[(Z)-3-(4-fluorophenyl)-1-(methylideneamino)prop-1-en-2-yl]sulfanylmethanamine
PubChem CID146477765
Molecular FormulaC11H13FN2S
Molecular Weight224.30 g/mol
Exact Mass224.08
IUPAC Name[(Z)-3-(4-fluorophenyl)-1-(methylideneamino)prop-1-en-2-yl]sulfanylmethanamine
SMILESC=N/C=C(/Cc1ccc(F)cc1)SCN
InChIInChI=1S/C11H13FN2S/c1-14-7-11(15-8-13)6-9-2-4-10(12)5-3-9/h2-5,7H,1,6,8,13H2/b11-7-
InChIKeyXOUJTAPKZLICNI-XFFZJAGNSA-N
XLogP2.56
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-[(4-fluorophenyl)methyl]-4-(methylideneamino)but-3-en-2-one
CID 91072181
(E)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine
CID 66982900
(Z)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine
CID 25013780
1-fluoro-4-(2-methylprop-2-enyl)benzene
CID 10954713
1-(4-fluorophenyl)but-3-en-2-one
CID 21099291
1,3-bis(4-fluorophenyl)propan-2-ylidenezirconium(2+)
CID 87754590
2-[(4-fluorophenyl)methyl]prop-2-en-1-ol
CID 117266723
N-[(1E,3E)-4-chloro-2-(4-fluorophenyl)penta-1,3-dienyl]methanimine
CID 145162234
1-(4-fluorophenyl)pent-4-en-2-one
CID 61380162
1-fluoro-4-(2-methylidenebutyl)benzene
CID 91243133
(NZ)-N-[1-(4-fluorophenyl)propan-2-ylidene]hydroxylamine
CID 91620735
N-[(Z)-1,3-bis(4-fluorophenyl)prop-1-enyl]methanimine
CID 144906825

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-(4-fluorophenyl)-1-(methylideneamino)prop-1-en-2-yl]sulfanylmethanamine?
The IUPAC name of [(Z)-3-(4-fluorophenyl)-1-(methylideneamino)prop-1-en-2-yl]sulfanylmethanamine (CID 146477765) is [(Z)-3-(4-fluorophenyl)-1-(methylideneamino)prop-1-en-2-yl]sulfanylmethanamine.
What is the SMILES notation for [(Z)-3-(4-fluorophenyl)-1-(methylideneamino)prop-1-en-2-yl]sulfanylmethanamine?
The canonical SMILES for [(Z)-3-(4-fluorophenyl)-1-(methylideneamino)prop-1-en-2-yl]sulfanylmethanamine is C=N/C=C(/Cc1ccc(F)cc1)SCN.
What is the InChIKey of [(Z)-3-(4-fluorophenyl)-1-(methylideneamino)prop-1-en-2-yl]sulfanylmethanamine?
The InChIKey is XOUJTAPKZLICNI-XFFZJAGNSA-N. The full InChI is InChI=1S/C11H13FN2S/c1-14-7-11(15-8-13)6-9-2-4-10(12)5-3-9/h2-5,7H,1,6,8,13H2/b11-7-.
What are the key properties of [(Z)-3-(4-fluorophenyl)-1-(methylideneamino)prop-1-en-2-yl]sulfanylmethanamine?
[(Z)-3-(4-fluorophenyl)-1-(methylideneamino)prop-1-en-2-yl]sulfanylmethanamine has a molecular weight of 224.30 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-(4-fluorophenyl)-1-(methylideneamino)prop-1-en-2-yl]sulfanylmethanamine is sourced from PubChem (CID 146477765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).