1-(4,5-diethylthiophen-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one

C16H25NO2S — CID 166665055

IUPAC1-(4,5-diethylthiophen-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCCc1scc(C(=O)C(C)(C)N2CCOCC2)c1CC
InChIInChI=1S/C16H25NO2S/c1-5-12-13(11-20-14(12)6-2)15(18)16(3,4)17-7-9-19-10-8-17/h11H,5-10H2,1-4H3
InChIKeySFUKYNFKEQPSNW-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.17
Rot. Bonds5

About 1-(4,5-diethylthiophen-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one

1-(4,5-diethylthiophen-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one (PubChem CID 166665055) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-(4,5-diethylthiophen-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(4,5-diethylthiophen-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
PubChem CID166665055
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name1-(4,5-diethylthiophen-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCCc1scc(C(=O)C(C)(C)N2CCOCC2)c1CC
InChIInChI=1S/C16H25NO2S/c1-5-12-13(11-20-14(12)6-2)15(18)16(3,4)17-7-9-19-10-8-17/h11H,5-10H2,1-4H3
InChIKeySFUKYNFKEQPSNW-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-diethylthiophen-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(4,5-diethylthiophen-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one (CID 166665055) is 1-(4,5-diethylthiophen-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(4,5-diethylthiophen-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(4,5-diethylthiophen-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one is CCc1scc(C(=O)C(C)(C)N2CCOCC2)c1CC.
What is the InChIKey of 1-(4,5-diethylthiophen-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The InChIKey is SFUKYNFKEQPSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-5-12-13(11-20-14(12)6-2)15(18)16(3,4)17-7-9-19-10-8-17/h11H,5-10H2,1-4H3.
What are the key properties of 1-(4,5-diethylthiophen-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one?
1-(4,5-diethylthiophen-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one has a molecular weight of 295.45 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-diethylthiophen-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 166665055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).