N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine

C14H20F2N2OS — CID 43763493

IUPACN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESFC(F)SCc1ccc(CNC2CN3CCC2CC3)o1
InChIInChI=1S/C14H20F2N2OS/c15-14(16)20-9-12-2-1-11(19-12)7-17-13-8-18-5-3-10(13)4-6-18/h1-2,10,13-14,17H,3-9H2
InChIKeyZMJAVDHUUTWTKH-UHFFFAOYSA-N
MW302.39 g/mol
LogP2.92
Rot. Bonds6

About N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 43763493) has the molecular formula C14H20F2N2OS and a molecular weight of 302.39 g/mol. Its IUPAC name is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID43763493
Molecular FormulaC14H20F2N2OS
Molecular Weight302.39 g/mol
Exact Mass302.13
IUPAC NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESFC(F)SCc1ccc(CNC2CN3CCC2CC3)o1
InChIInChI=1S/C14H20F2N2OS/c15-14(16)20-9-12-2-1-11(19-12)7-17-13-8-18-5-3-10(13)4-6-18/h1-2,10,13-14,17H,3-9H2
InChIKeyZMJAVDHUUTWTKH-UHFFFAOYSA-N
XLogP2.92
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine with MolForge

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Related Compounds

1-cyclopropyl-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]piperidin-4-amine
CID 43234263
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17158992
3-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]azepan-2-one
CID 43782024
N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17159447
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51675631
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 71685865
N'-cyclopropyl-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-N'-methylethane-1,2-diamine
CID 55140063
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(thiolan-3-yl)methanamine
CID 107295296
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43763481
N-[(4-ethylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17158935
(3R)-N-[(4-methylsulfanylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 834550
2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol
CID 43776345

Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine (CID 43763493) is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine is FC(F)SCc1ccc(CNC2CN3CCC2CC3)o1.
What is the InChIKey of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is ZMJAVDHUUTWTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2OS/c15-14(16)20-9-12-2-1-11(19-12)7-17-13-8-18-5-3-10(13)4-6-18/h1-2,10,13-14,17H,3-9H2.
What are the key properties of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine?
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 302.39 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 43763493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).