2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one

C14H22N2O3S — CID 115621805

IUPAC2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCSCc1ccc(CNC(C)C(=O)N2CCOCC2)o1
InChIInChI=1S/C14H22N2O3S/c1-11(14(17)16-5-7-18-8-6-16)15-9-12-3-4-13(19-12)10-20-2/h3-4,11,15H,5-10H2,1-2H3
InChIKeyWSOCWMLZRGCQRA-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.48
Rot. Bonds6

About 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one

2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 115621805) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID115621805
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCSCc1ccc(CNC(C)C(=O)N2CCOCC2)o1
InChIInChI=1S/C14H22N2O3S/c1-11(14(17)16-5-7-18-8-6-16)15-9-12-3-4-13(19-12)10-20-2/h3-4,11,15H,5-10H2,1-2H3
InChIKeyWSOCWMLZRGCQRA-UHFFFAOYSA-N
XLogP1.48
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-chlorofuran-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 112683112
methyl 5-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]furan-2-carboxylate
CID 115628854
2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
CID 115588959
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]morpholin-4-amine
CID 83009821
3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
CID 115585147
2-[(4-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 43083712
2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide
CID 43781321
4-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]benzamide
CID 115569779
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 106371542
2-(1H-imidazol-5-ylmethylamino)-1-morpholin-4-ylpropan-1-one
CID 112690595
2-[(1-methylsulfanylcyclopropyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 107266231
2-[(4-ethoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115593323

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one (CID 115621805) is 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one is CSCc1ccc(CNC(C)C(=O)N2CCOCC2)o1.
What is the InChIKey of 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is WSOCWMLZRGCQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11(14(17)16-5-7-18-8-6-16)15-9-12-3-4-13(19-12)10-20-2/h3-4,11,15H,5-10H2,1-2H3.
What are the key properties of 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one?
2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 298.41 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 115621805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).