3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide

C13H22N2O2S — CID 61060082

IUPAC3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCc1ccc(CSC)o1
InChIInChI=1S/C13H22N2O2S/c1-3-7-15-13(16)6-8-14-9-11-4-5-12(17-11)10-18-2/h4-5,14H,3,6-10H2,1-2H3,(H,15,16)
InChIKeyQMHQBCZXRAEMFY-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.15
Rot. Bonds9

About 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide

3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide (PubChem CID 61060082) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide
PubChem CID61060082
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCc1ccc(CSC)o1
InChIInChI=1S/C13H22N2O2S/c1-3-7-15-13(16)6-8-14-9-11-4-5-12(17-11)10-18-2/h4-5,14H,3,6-10H2,1-2H3,(H,15,16)
InChIKeyQMHQBCZXRAEMFY-UHFFFAOYSA-N
XLogP2.15
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide 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,N-diethyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide
CID 54935769
2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide
CID 43781321
3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
CID 115585147
N',N'-diethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 43761839
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-propoxypropan-1-amine
CID 82940790
N-propyl-3-[(4-trimethylsilylphenyl)methylamino]propanamide
CID 103437737
5-[[[4-oxo-4-(propylamino)butanoyl]amino]methyl]furan-2-carboxylic acid
CID 119246000
5-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]furan-2-carboxylic acid
CID 63316686
3-(ethylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 62834819
N-tert-butyl-3-[[5-(hydroxymethyl)furan-2-yl]methylamino]propanamide
CID 112695091
2-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentan-1-ol
CID 103859574
N-butyl-3-(furan-2-ylmethylamino)propanamide
CID 109012191

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide?
The IUPAC name of 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide (CID 61060082) is 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide?
The canonical SMILES for 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide is CCCNC(=O)CCNCc1ccc(CSC)o1.
What is the InChIKey of 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide?
The InChIKey is QMHQBCZXRAEMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-3-7-15-13(16)6-8-14-9-11-4-5-12(17-11)10-18-2/h4-5,14H,3,6-10H2,1-2H3,(H,15,16).
What are the key properties of 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide?
3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide has a molecular weight of 270.40 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide is sourced from PubChem (CID 61060082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).