3-thiomorpholin-4-yl-1-thiophen-2-ylpropan-1-one

C11H15NOS2 — CID 170859322

IUPAC3-thiomorpholin-4-yl-1-thiophen-2-ylpropan-1-one
SMILESO=C(CCN1CCSCC1)c1cccs1
InChIInChI=1S/C11H15NOS2/c13-10(11-2-1-7-15-11)3-4-12-5-8-14-9-6-12/h1-2,7H,3-6,8-9H2
InChIKeyHGNCLJQUBJXHGK-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.37
Rot. Bonds4

About 3-thiomorpholin-4-yl-1-thiophen-2-ylpropan-1-one

3-thiomorpholin-4-yl-1-thiophen-2-ylpropan-1-one (PubChem CID 170859322) has the molecular formula C11H15NOS2 and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-thiomorpholin-4-yl-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-thiomorpholin-4-yl-1-thiophen-2-ylpropan-1-one
PubChem CID170859322
Molecular FormulaC11H15NOS2
Molecular Weight241.38 g/mol
Exact Mass241.06
IUPAC Name3-thiomorpholin-4-yl-1-thiophen-2-ylpropan-1-one
SMILESO=C(CCN1CCSCC1)c1cccs1
InChIInChI=1S/C11H15NOS2/c13-10(11-2-1-7-15-11)3-4-12-5-8-14-9-6-12/h1-2,7H,3-6,8-9H2
InChIKeyHGNCLJQUBJXHGK-UHFFFAOYSA-N
XLogP2.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one;dihydrochloride
CID 12739150
3-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one
CID 94270119
3-morpholin-4-yl-1-thiophen-2-ylpropan-1-one;hydrochloride
CID 3022656
3-(4-acetylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one
CID 82122856
4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
CID 43229376
ethane;1-phenyl-3-thiomorpholin-4-ylpropan-1-one
CID 91194535
1-thiophen-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one
CID 62968235
4-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
CID 62773651
4-[3-(dimethylamino)pyrrolidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 63163843
1-(3-bromophenyl)-3-thiomorpholin-4-ylpropan-1-one
CID 55094321
3-(4-phenyl-4-propoxypiperidin-1-yl)-1-thiophen-2-ylpropan-1-one;hydrochloride
CID 173455258
1-methyl-3-(4-oxo-4-thiophen-2-ylbutyl)imidazolidin-2-one
CID 62491674

Frequently Asked Questions

What is the IUPAC name of 3-thiomorpholin-4-yl-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-thiomorpholin-4-yl-1-thiophen-2-ylpropan-1-one (CID 170859322) is 3-thiomorpholin-4-yl-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-thiomorpholin-4-yl-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-thiomorpholin-4-yl-1-thiophen-2-ylpropan-1-one is O=C(CCN1CCSCC1)c1cccs1.
What is the InChIKey of 3-thiomorpholin-4-yl-1-thiophen-2-ylpropan-1-one?
The InChIKey is HGNCLJQUBJXHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS2/c13-10(11-2-1-7-15-11)3-4-12-5-8-14-9-6-12/h1-2,7H,3-6,8-9H2.
What are the key properties of 3-thiomorpholin-4-yl-1-thiophen-2-ylpropan-1-one?
3-thiomorpholin-4-yl-1-thiophen-2-ylpropan-1-one has a molecular weight of 241.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiomorpholin-4-yl-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 170859322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).