N,N-diethyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide

C14H24N2O2S — CID 54935769

IUPACN,N-diethyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide
SMILESCCN(CC)C(=O)CCNCc1ccc(CSC)o1
InChIInChI=1S/C14H24N2O2S/c1-4-16(5-2)14(17)8-9-15-10-12-6-7-13(18-12)11-19-3/h6-7,15H,4-5,8-11H2,1-3H3
InChIKeyRGWHCOKRKXGTOC-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.49
Rot. Bonds9

About N,N-diethyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide

N,N-diethyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide (PubChem CID 54935769) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N,N-diethyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide
PubChem CID54935769
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN,N-diethyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide
SMILESCCN(CC)C(=O)CCNCc1ccc(CSC)o1
InChIInChI=1S/C14H24N2O2S/c1-4-16(5-2)14(17)8-9-15-10-12-6-7-13(18-12)11-19-3/h6-7,15H,4-5,8-11H2,1-3H3
InChIKeyRGWHCOKRKXGTOC-UHFFFAOYSA-N
XLogP2.49
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide
CID 61060082
N',N'-diethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 43761839
3-[(4,5-dibromofuran-2-yl)methylamino]-N,N-diethylpropanamide
CID 62083451
3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
CID 115585147
3-[(2,6-dichlorophenyl)methylamino]-N,N-diethylpropanamide
CID 54935527
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-propoxypropan-1-amine
CID 82940790
N'-cyclopropyl-N'-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 62976641
2-ethoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
CID 115655562
3-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylpropanamide
CID 60926484
3-[(3,4-dimethylphenyl)methylamino]-N,N-diethylpropanamide
CID 54935720
N,N-diethyl-3-[(4-nitrophenyl)methylamino]propanamide
CID 60926865
2-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentan-1-ol
CID 103859574

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide?
The IUPAC name of N,N-diethyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide (CID 54935769) is N,N-diethyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide?
The canonical SMILES for N,N-diethyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide is CCN(CC)C(=O)CCNCc1ccc(CSC)o1.
What is the InChIKey of N,N-diethyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide?
The InChIKey is RGWHCOKRKXGTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-16(5-2)14(17)8-9-15-10-12-6-7-13(18-12)11-19-3/h6-7,15H,4-5,8-11H2,1-3H3.
What are the key properties of N,N-diethyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide?
N,N-diethyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide has a molecular weight of 284.43 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide is sourced from PubChem (CID 54935769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).