1-(5-ethylthiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one

C13H19NOS2 — CID 116586701

IUPAC1-(5-ethylthiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one
SMILESCCc1ccc(CC(=O)CC2CSCCN2)s1
InChIInChI=1S/C13H19NOS2/c1-2-12-3-4-13(17-12)8-11(15)7-10-9-16-6-5-14-10/h3-4,10,14H,2,5-9H2,1H3
InChIKeyQLPCGQVTSSONRM-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.52
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one

1-(5-ethylthiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one (PubChem CID 116586701) has the molecular formula C13H19NOS2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one
PubChem CID116586701
Molecular FormulaC13H19NOS2
Molecular Weight269.43 g/mol
Exact Mass269.09
IUPAC Name1-(5-ethylthiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one
SMILESCCc1ccc(CC(=O)CC2CSCCN2)s1
InChIInChI=1S/C13H19NOS2/c1-2-12-3-4-13(17-12)8-11(15)7-10-9-16-6-5-14-10/h3-4,10,14H,2,5-9H2,1H3
InChIKeyQLPCGQVTSSONRM-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586600
N-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 103821107
1-(2-chloro-4-methylphenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 106871284
1-(5-ethylthiophen-2-yl)-3-piperidin-4-ylpropan-2-one
CID 116560034
N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66421005
1-(5-ethylthiophen-2-yl)-3-piperidin-3-ylpropan-2-one
CID 116564334
1-(3-bromophenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586628
1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586557
1-(5-chloro-2-methoxyphenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586447
1-(5-methylthiophen-2-yl)-2-thiomorpholin-3-ylethanone
CID 116586505
4-ethylsulfonyl-1-thiomorpholin-3-ylbutan-2-one
CID 106736604
1-thiomorpholin-3-ylnonan-2-one
CID 116586482

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one (CID 116586701) is 1-(5-ethylthiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one is CCc1ccc(CC(=O)CC2CSCCN2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one?
The InChIKey is QLPCGQVTSSONRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS2/c1-2-12-3-4-13(17-12)8-11(15)7-10-9-16-6-5-14-10/h3-4,10,14H,2,5-9H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one?
1-(5-ethylthiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one has a molecular weight of 269.43 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one is sourced from PubChem (CID 116586701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).