N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-2-amine

C14H17F2NOS2 — CID 43783043

IUPACN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)NCc1ccc(CSC(F)F)o1
InChIInChI=1S/C14H17F2NOS2/c1-10(7-13-3-2-6-19-13)17-8-11-4-5-12(18-11)9-20-14(15)16/h2-6,10,14,17H,7-9H2,1H3
InChIKeyXRFFGBGTRINTMH-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.52
Rot. Bonds8

About N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-2-amine

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-2-amine (PubChem CID 43783043) has the molecular formula C14H17F2NOS2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-2-amine
PubChem CID43783043
Molecular FormulaC14H17F2NOS2
Molecular Weight317.43 g/mol
Exact Mass317.07
IUPAC NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)NCc1ccc(CSC(F)F)o1
InChIInChI=1S/C14H17F2NOS2/c1-10(7-13-3-2-6-19-13)17-8-11-4-5-12(18-11)9-20-14(15)16/h2-6,10,14,17H,7-9H2,1H3
InChIKeyXRFFGBGTRINTMH-UHFFFAOYSA-N
XLogP4.52
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol
CID 43776345
(1R)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-fluorophenyl)ethanamine
CID 81350621
(1R)-1-(2-chlorophenyl)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 81375041
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432739
N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432764
N-(2-ethylsulfanylethyl)-1-thiophen-2-ylpropan-2-amine
CID 104668568
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-methylpentan-3-amine
CID 113237061
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432802
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 103934023
N-[(4-nitrophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432789
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432724

Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-2-amine (CID 43783043) is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-2-amine is CC(Cc1cccs1)NCc1ccc(CSC(F)F)o1.
What is the InChIKey of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-2-amine?
The InChIKey is XRFFGBGTRINTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NOS2/c1-10(7-13-3-2-6-19-13)17-8-11-4-5-12(18-11)9-20-14(15)16/h2-6,10,14,17H,7-9H2,1H3.
What are the key properties of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-2-amine?
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-2-amine has a molecular weight of 317.43 g/mol, XLogP of 4.52, 8 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-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 43783043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).