N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(thiolan-3-yl)methanamine

C12H17F2NOS2 — CID 107295296

IUPACN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(thiolan-3-yl)methanamine
SMILESFC(F)SCc1ccc(CNCC2CCSC2)o1
InChIInChI=1S/C12H17F2NOS2/c13-12(14)18-8-11-2-1-10(16-11)6-15-5-9-3-4-17-7-9/h1-2,9,12,15H,3-8H2
InChIKeyXJQFEJWKPBJDEZ-UHFFFAOYSA-N
MW293.40 g/mol
LogP3.58
Rot. Bonds7

About N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(thiolan-3-yl)methanamine

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(thiolan-3-yl)methanamine (PubChem CID 107295296) has the molecular formula C12H17F2NOS2 and a molecular weight of 293.40 g/mol. Its IUPAC name is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(thiolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(thiolan-3-yl)methanamine
PubChem CID107295296
Molecular FormulaC12H17F2NOS2
Molecular Weight293.40 g/mol
Exact Mass293.07
IUPAC NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(thiolan-3-yl)methanamine
SMILESFC(F)SCc1ccc(CNCC2CCSC2)o1
InChIInChI=1S/C12H17F2NOS2/c13-12(14)18-8-11-2-1-10(16-11)6-15-5-9-3-4-17-7-9/h1-2,9,12,15H,3-8H2
InChIKeyXJQFEJWKPBJDEZ-UHFFFAOYSA-N
XLogP3.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclopropyl-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-N'-methylethane-1,2-diamine
CID 55140063
1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butan-2-ol
CID 113492063
[1-[[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclopropyl]methanol
CID 79479183
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2,3-dimethylbutan-1-amine
CID 64569884
1-[3-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propyl]piperidin-4-ol
CID 119111981
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxan-2-yl)ethanamine
CID 103992949
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine
CID 43225249
[5-(difluoromethylsulfanylmethyl)furan-2-yl]methanol
CID 43753545
2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol
CID 43776345
1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-methoxymethanamine
CID 82706312
1-cyclopropyl-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]piperidin-4-amine
CID 43234263
5-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpentan-1-ol
CID 103859480

Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(thiolan-3-yl)methanamine?
The IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(thiolan-3-yl)methanamine (CID 107295296) is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(thiolan-3-yl)methanamine.
What is the SMILES notation for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(thiolan-3-yl)methanamine?
The canonical SMILES for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(thiolan-3-yl)methanamine is FC(F)SCc1ccc(CNCC2CCSC2)o1.
What is the InChIKey of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(thiolan-3-yl)methanamine?
The InChIKey is XJQFEJWKPBJDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NOS2/c13-12(14)18-8-11-2-1-10(16-11)6-15-5-9-3-4-17-7-9/h1-2,9,12,15H,3-8H2.
What are the key properties of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(thiolan-3-yl)methanamine?
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(thiolan-3-yl)methanamine has a molecular weight of 293.40 g/mol, XLogP of 3.58, 7 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-(thiolan-3-yl)methanamine is sourced from PubChem (CID 107295296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).