1-(2-fluorophenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

C13H16FN3S — CID 79520584

IUPAC1-(2-fluorophenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCCSC2)N1c1ccccc1F
InChIInChI=1S/C13H16FN3S/c14-10-4-1-2-5-11(10)17-12(15)16-8-13(17)6-3-7-18-9-13/h1-2,4-5H,3,6-9H2,(H2,15,16)
InChIKeyONBKCALEMRUEFC-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.23
Rot. Bonds1

About 1-(2-fluorophenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-(2-fluorophenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79520584) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79520584
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC Name1-(2-fluorophenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCCSC2)N1c1ccccc1F
InChIInChI=1S/C13H16FN3S/c14-10-4-1-2-5-11(10)17-12(15)16-8-13(17)6-3-7-18-9-13/h1-2,4-5H,3,6-9H2,(H2,15,16)
InChIKeyONBKCALEMRUEFC-UHFFFAOYSA-N
XLogP2.23
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79520584) is 1-(2-fluorophenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is NC1=NCC2(CCCSC2)N1c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is ONBKCALEMRUEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c14-10-4-1-2-5-11(10)17-12(15)16-8-13(17)6-3-7-18-9-13/h1-2,4-5H,3,6-9H2,(H2,15,16).
What are the key properties of 1-(2-fluorophenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(2-fluorophenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 265.36 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79520584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).