3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one

C14H22N2O3S — CID 115585147

IUPAC3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCSCc1ccc(CNCCC(=O)N2CCOCC2)o1
InChIInChI=1S/C14H22N2O3S/c1-20-11-13-3-2-12(19-13)10-15-5-4-14(17)16-6-8-18-9-7-16/h2-3,15H,4-11H2,1H3
InChIKeyKPZZVLPCPJLWKK-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.48
Rot. Bonds7

About 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one

3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 115585147) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID115585147
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCSCc1ccc(CNCCC(=O)N2CCOCC2)o1
InChIInChI=1S/C14H22N2O3S/c1-20-11-13-3-2-12(19-13)10-15-5-4-14(17)16-6-8-18-9-7-16/h2-3,15H,4-11H2,1H3
InChIKeyKPZZVLPCPJLWKK-UHFFFAOYSA-N
XLogP1.48
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
CID 115621805
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]morpholin-4-amine
CID 83009821
3-[(4-hydroxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 112685039
3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide
CID 61060082
5-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carboxylic acid
CID 63317125
3-[(3-chloro-4-methylphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 106817088
3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115684306
2-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]furan-3-carboxylic acid
CID 103262999
5-(methylsulfanylmethyl)-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 90650804
1-(4-acetylpiperazin-1-yl)-3-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-1-one
CID 119125549
3-(1-benzofuran-3-ylmethylamino)-1-morpholin-4-ylpropan-1-one
CID 115750353
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115633696

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one (CID 115585147) is 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one is CSCc1ccc(CNCCC(=O)N2CCOCC2)o1.
What is the InChIKey of 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is KPZZVLPCPJLWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-20-11-13-3-2-12(19-13)10-15-5-4-14(17)16-6-8-18-9-7-16/h2-3,15H,4-11H2,1H3.
What are the key properties of 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one?
3-[[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, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 115585147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).