3-(3-fluorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione

C15H17FN2S — CID 22428576

IUPAC3-(3-fluorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione
SMILESFc1cccc(C2=NC3(CCCCCC3)NC2=S)c1
InChIInChI=1S/C15H17FN2S/c16-12-7-5-6-11(10-12)13-14(19)18-15(17-13)8-3-1-2-4-9-15/h5-7,10H,1-4,8-9H2,(H,18,19)
InChIKeyUXGLYHUENZVFKO-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.60
Rot. Bonds1

About 3-(3-fluorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione

3-(3-fluorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione (PubChem CID 22428576) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione
PubChem CID22428576
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC Name3-(3-fluorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione
SMILESFc1cccc(C2=NC3(CCCCCC3)NC2=S)c1
InChIInChI=1S/C15H17FN2S/c16-12-7-5-6-11(10-12)13-14(19)18-15(17-13)8-3-1-2-4-9-15/h5-7,10H,1-4,8-9H2,(H,18,19)
InChIKeyUXGLYHUENZVFKO-UHFFFAOYSA-N
XLogP3.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione
CID 2151521
3-Phenyl-1,4-diazaspiro[4.6]undec-3-ene-2-thione
CID 16188812
2-isobutyl-2-methyl-5-phenyl-2,3-dihydro-4H-imidazole-4-thione
CID 6621596
3-Phenyl-1,4-diazaspiro[4.5]dec-3-ene-2-thione
CID 12005139
3-(4-Methylphenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione
CID 12005148
2,2-diethyl-5-phenyl-2,3-dihydro-4H-imidazole-4-thione
CID 16188074
3-(4-Methylphenyl)-1,4-diazaspiro[4.4]non-3-ene-2-thione
CID 16188813
8-Ethyl-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione
CID 2151523
3-Phenyl-1,4-diazaspiro[4.4]non-3-ene-2-thione
CID 6621526
3-(4-Methylphenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione
CID 12005149
3-(4-Fluorophenyl)-1,4-diazaspiro[4.5]dec-3-ene-2-thione
CID 22428568
8-Ethyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione
CID 22424120

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione?
The IUPAC name of 3-(3-fluorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione (CID 22428576) is 3-(3-fluorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione.
What is the SMILES notation for 3-(3-fluorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione?
The canonical SMILES for 3-(3-fluorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione is Fc1cccc(C2=NC3(CCCCCC3)NC2=S)c1.
What is the InChIKey of 3-(3-fluorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione?
The InChIKey is UXGLYHUENZVFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c16-12-7-5-6-11(10-12)13-14(19)18-15(17-13)8-3-1-2-4-9-15/h5-7,10H,1-4,8-9H2,(H,18,19).
What are the key properties of 3-(3-fluorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione?
3-(3-fluorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione has a molecular weight of 276.38 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione is sourced from PubChem (CID 22428576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).