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

C14H19NOS2 — CID 61057757

IUPACN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCc1ccc(CSC)o1)c1cccs1
InChIInChI=1S/C14H19NOS2/c1-3-13(14-5-4-8-18-14)15-9-11-6-7-12(16-11)10-17-2/h4-8,13,15H,3,9-10H2,1-2H3
InChIKeyHAOWYBMSHNQCFD-UHFFFAOYSA-N
MW281.45 g/mol
LogP4.45
Rot. Bonds7

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

N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 61057757) has the molecular formula C14H19NOS2 and a molecular weight of 281.45 g/mol. Its IUPAC name is N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID61057757
Molecular FormulaC14H19NOS2
Molecular Weight281.45 g/mol
Exact Mass281.09
IUPAC NameN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCc1ccc(CSC)o1)c1cccs1
InChIInChI=1S/C14H19NOS2/c1-3-13(14-5-4-8-18-14)15-9-11-6-7-12(16-11)10-17-2/h4-8,13,15H,3,9-10H2,1-2H3
InChIKeyHAOWYBMSHNQCFD-UHFFFAOYSA-N
XLogP4.45
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-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

N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057521
(1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 99821912
N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43201345
N-(1,3-dioxolan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 75504547
N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057752
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057881
N-[(2,2-dimethylcyclopropyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 103902072
2,6-difluoro-4-[(1-thiophen-2-ylpropylamino)methyl]phenol
CID 79831318
N-[(1-methylindazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 63001715
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyrrol-1-amine
CID 79090711
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide
CID 43781321

Frequently Asked Questions

What is the IUPAC name of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-1-amine (CID 61057757) is N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-1-amine is CCC(NCc1ccc(CSC)o1)c1cccs1.
What is the InChIKey of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is HAOWYBMSHNQCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS2/c1-3-13(14-5-4-8-18-14)15-9-11-6-7-12(16-11)10-17-2/h4-8,13,15H,3,9-10H2,1-2H3.
What are the key properties of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-1-amine?
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 281.45 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 61057757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).