N-(4-fluorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine

C13H15FN2S — CID 62524988

IUPACN-(4-fluorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
SMILESFc1ccc(NC2=NC3(CCCC3)CS2)cc1
InChIInChI=1S/C13H15FN2S/c14-10-3-5-11(6-4-10)15-12-16-13(9-17-12)7-1-2-8-13/h3-6H,1-2,7-9H2,(H,15,16)
InChIKeyGAOWSXSIYABFMN-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.65
Rot. Bonds1

About N-(4-fluorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine

N-(4-fluorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine (PubChem CID 62524988) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
PubChem CID62524988
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC NameN-(4-fluorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
SMILESFc1ccc(NC2=NC3(CCCC3)CS2)cc1
InChIInChI=1S/C13H15FN2S/c14-10-3-5-11(6-4-10)15-12-16-13(9-17-12)7-1-2-8-13/h3-6H,1-2,7-9H2,(H,15,16)
InChIKeyGAOWSXSIYABFMN-UHFFFAOYSA-N
XLogP3.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62525557
N-(3,5-dichlorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62524652
N-pyrimidin-5-yl-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 107589083
N-(4-fluoro-2-methoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62516977
N-pyrimidin-5-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 107589097
N-(4-fluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967612
N-(2,3-difluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62526066
N-(5-bromo-2-fluorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 55081376
N-[3-(3-thia-1-azaspiro[4.4]non-1-en-2-ylamino)phenyl]acetamide
CID 62524825
N-(2-bromo-6-fluorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 107601465
N-(3,4-difluorophenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62526771
N-(2,6-dichlorophenyl)-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 65499433

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine?
The IUPAC name of N-(4-fluorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine (CID 62524988) is N-(4-fluorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine is Fc1ccc(NC2=NC3(CCCC3)CS2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine?
The InChIKey is GAOWSXSIYABFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c14-10-3-5-11(6-4-10)15-12-16-13(9-17-12)7-1-2-8-13/h3-6H,1-2,7-9H2,(H,15,16).
What are the key properties of N-(4-fluorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine?
N-(4-fluorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine has a molecular weight of 250.34 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine is sourced from PubChem (CID 62524988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).