N-[2-(trifluoromethyl)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine

C15H17F3N2S — CID 115361025

IUPACN-[2-(trifluoromethyl)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESFC(F)(F)c1ccccc1NC1=NCC2(CCCC2)CS1
InChIInChI=1S/C15H17F3N2S/c16-15(17,18)11-5-1-2-6-12(11)20-13-19-9-14(10-21-13)7-3-4-8-14/h1-2,5-6H,3-4,7-10H2,(H,19,20)
InChIKeyDCABQNLBISAUNW-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.78
Rot. Bonds1

About N-[2-(trifluoromethyl)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine

N-[2-(trifluoromethyl)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (PubChem CID 115361025) has the molecular formula C15H17F3N2S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
PubChem CID115361025
Molecular FormulaC15H17F3N2S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-[2-(trifluoromethyl)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESFC(F)(F)c1ccccc1NC1=NCC2(CCCC2)CS1
InChIInChI=1S/C15H17F3N2S/c16-15(17,18)11-5-1-2-6-12(11)20-13-19-9-14(10-21-13)7-3-4-8-14/h1-2,5-6H,3-4,7-10H2,(H,19,20)
InChIKeyDCABQNLBISAUNW-UHFFFAOYSA-N
XLogP4.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967529
N-[2-(trifluoromethyl)phenyl]-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62527099
N-(2-ethoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361017
N-(2,4,5-trifluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967856
N-(4-fluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967612
N-(2,5-dichlorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967556
N-(3,4-dichlorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967592
N-(4-methoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115360949
N-(4-methoxyphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967536
4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)benzene-1,2-dicarbonitrile
CID 107791769
N-(4-bromo-3,5-dimethylphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 107575996
N-(2-bromo-6-chloro-4-fluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 107614089

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (CID 115361025) is N-[2-(trifluoromethyl)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is FC(F)(F)c1ccccc1NC1=NCC2(CCCC2)CS1.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The InChIKey is DCABQNLBISAUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2S/c16-15(17,18)11-5-1-2-6-12(11)20-13-19-9-14(10-21-13)7-3-4-8-14/h1-2,5-6H,3-4,7-10H2,(H,19,20).
What are the key properties of N-[2-(trifluoromethyl)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
N-[2-(trifluoromethyl)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine has a molecular weight of 314.38 g/mol, XLogP of 4.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is sourced from PubChem (CID 115361025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).