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

C10H17FN2S — CID 130504493

IUPACN-(2-fluoroethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESFCCNC1=NCC2(CCCC2)CS1
InChIInChI=1S/C10H17FN2S/c11-5-6-12-9-13-7-10(8-14-9)3-1-2-4-10/h1-8H2,(H,12,13)
InChIKeyIEPDSVJKBBDFTG-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.21
Rot. Bonds2

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

N-(2-fluoroethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (PubChem CID 130504493) has the molecular formula C10H17FN2S and a molecular weight of 216.32 g/mol. Its IUPAC name is N-(2-fluoroethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
PubChem CID130504493
Molecular FormulaC10H17FN2S
Molecular Weight216.32 g/mol
Exact Mass216.11
IUPAC NameN-(2-fluoroethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESFCCNC1=NCC2(CCCC2)CS1
InChIInChI=1S/C10H17FN2S/c11-5-6-12-9-13-7-10(8-14-9)3-1-2-4-10/h1-8H2,(H,12,13)
InChIKeyIEPDSVJKBBDFTG-UHFFFAOYSA-N
XLogP2.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(trifluoromethyl)cyclohexyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 57177793
N-(2,2,2-trifluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967598
N-(3,3,3-trifluoropropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967876
N-(2,2-difluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103968008
N-(4,4,4-trifluorobutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103968009
N-(5,5,5-trifluoropentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103968010
N-(4,4,4-trifluorobutan-2-yl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 105943254
N-(2,2-difluoroethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106251297
5,5-diethyl-N-(5,5,5-trifluoropentyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106251303
5-(2,2-dimethylpropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106431781
N-[2-(trifluoromethylsulfanyl)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 106431809
5-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153828

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The IUPAC name of N-(2-fluoroethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (CID 130504493) is N-(2-fluoroethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.
What is the SMILES notation for N-(2-fluoroethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The canonical SMILES for N-(2-fluoroethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is FCCNC1=NCC2(CCCC2)CS1.
What is the InChIKey of N-(2-fluoroethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The InChIKey is IEPDSVJKBBDFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2S/c11-5-6-12-9-13-7-10(8-14-9)3-1-2-4-10/h1-8H2,(H,12,13).
What are the key properties of N-(2-fluoroethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
N-(2-fluoroethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine has a molecular weight of 216.32 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is sourced from PubChem (CID 130504493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).