N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine

C15H24F2N2OS — CID 60957475

IUPACN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCc1ccc(CSC(F)F)o1)CN1CCCC1
InChIInChI=1S/C15H24F2N2OS/c1-12(10-19-6-2-3-7-19)8-18-9-13-4-5-14(20-13)11-21-15(16)17/h4-5,12,15,18H,2-3,6-11H2,1H3
InChIKeyNLGWDCPJONBPNX-UHFFFAOYSA-N
MW318.43 g/mol
LogP3.56
Rot. Bonds9

About N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 60957475) has the molecular formula C15H24F2N2OS and a molecular weight of 318.43 g/mol. Its IUPAC name is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID60957475
Molecular FormulaC15H24F2N2OS
Molecular Weight318.43 g/mol
Exact Mass318.16
IUPAC NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCc1ccc(CSC(F)F)o1)CN1CCCC1
InChIInChI=1S/C15H24F2N2OS/c1-12(10-19-6-2-3-7-19)8-18-9-13-4-5-14(20-13)11-21-15(16)17/h4-5,12,15,18H,2-3,6-11H2,1H3
InChIKeyNLGWDCPJONBPNX-UHFFFAOYSA-N
XLogP3.56
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 60957579
N-[(5-iodofuran-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 62992693
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2,3-dimethylbutan-1-amine
CID 64569884
5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carbonitrile
CID 115652335
methyl 5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carboxylate
CID 62994593
5-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpentan-1-ol
CID 103859480
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine
CID 43225249
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115767635
2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol
CID 43776345
3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-pyrrolidin-1-ylbutan-1-amine
CID 43771633
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51675631
3-(4-ethylpiperazin-1-yl)-2-methyl-N-[[5-(4-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 119122326

Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine (CID 60957475) is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine is CC(CNCc1ccc(CSC(F)F)o1)CN1CCCC1.
What is the InChIKey of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is NLGWDCPJONBPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2OS/c1-12(10-19-6-2-3-7-19)8-18-9-13-4-5-14(20-13)11-21-15(16)17/h4-5,12,15,18H,2-3,6-11H2,1H3.
What are the key properties of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 318.43 g/mol, XLogP of 3.56, 9 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]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 60957475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).