1-(3-fluorophenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine

C12H14FN3S — CID 79515023

IUPAC1-(3-fluorophenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESNC1=NCC2(CCSC2)N1c1cccc(F)c1
InChIInChI=1S/C12H14FN3S/c13-9-2-1-3-10(6-9)16-11(14)15-7-12(16)4-5-17-8-12/h1-3,6H,4-5,7-8H2,(H2,14,15)
InChIKeyVLQPKZRGYPNYFF-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.84
Rot. Bonds1

About 1-(3-fluorophenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine

1-(3-fluorophenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine (PubChem CID 79515023) has the molecular formula C12H14FN3S and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
PubChem CID79515023
Molecular FormulaC12H14FN3S
Molecular Weight251.33 g/mol
Exact Mass251.09
IUPAC Name1-(3-fluorophenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESNC1=NCC2(CCSC2)N1c1cccc(F)c1
InChIInChI=1S/C12H14FN3S/c13-9-2-1-3-10(6-9)16-11(14)15-7-12(16)4-5-17-8-12/h1-3,6H,4-5,7-8H2,(H2,14,15)
InChIKeyVLQPKZRGYPNYFF-UHFFFAOYSA-N
XLogP1.84
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluorophenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylphenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79505067
1-(3-fluorophenyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine
CID 79514881
1-(3-bromophenyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79514337
1-(3-methoxyphenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79514492
1-(3-fluorophenyl)-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79513978
1-(3-fluorophenyl)-8-methyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79521444
9-ethyl-1-(3-fluorophenyl)-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79503079
1-(3-fluorophenyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79503075
1-(3-fluorophenyl)-5,5-dipropyl-4H-imidazol-2-amine
CID 79514797
1-(2-fluorophenyl)-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79520584
1-(2-methoxyphenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79514719
1-(3-bromophenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79514184

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine (CID 79515023) is 1-(3-fluorophenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine is NC1=NCC2(CCSC2)N1c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
The InChIKey is VLQPKZRGYPNYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S/c13-9-2-1-3-10(6-9)16-11(14)15-7-12(16)4-5-17-8-12/h1-3,6H,4-5,7-8H2,(H2,14,15).
What are the key properties of 1-(3-fluorophenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine?
1-(3-fluorophenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine has a molecular weight of 251.33 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 79515023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).