4-hydroxy-1-morpholin-4-yl-4-thiophen-2-ylbutan-1-one

C12H17NO3S — CID 82120337

IUPAC4-hydroxy-1-morpholin-4-yl-4-thiophen-2-ylbutan-1-one
SMILESO=C(CCC(O)c1cccs1)N1CCOCC1
InChIInChI=1S/C12H17NO3S/c14-10(11-2-1-9-17-11)3-4-12(15)13-5-7-16-8-6-13/h1-2,9-10,14H,3-8H2
InChIKeyCFYSULCBOMIBQG-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.42
Rot. Bonds4

About 4-hydroxy-1-morpholin-4-yl-4-thiophen-2-ylbutan-1-one

4-hydroxy-1-morpholin-4-yl-4-thiophen-2-ylbutan-1-one (PubChem CID 82120337) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-hydroxy-1-morpholin-4-yl-4-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-morpholin-4-yl-4-thiophen-2-ylbutan-1-one
PubChem CID82120337
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name4-hydroxy-1-morpholin-4-yl-4-thiophen-2-ylbutan-1-one
SMILESO=C(CCC(O)c1cccs1)N1CCOCC1
InChIInChI=1S/C12H17NO3S/c14-10(11-2-1-9-17-11)3-4-12(15)13-5-7-16-8-6-13/h1-2,9-10,14H,3-8H2
InChIKeyCFYSULCBOMIBQG-UHFFFAOYSA-N
XLogP1.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 82123450
N-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide
CID 47017273
2-chloro-1-morpholin-4-yl-2-thiophen-2-ylethanone
CID 62225934
1-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione
CID 55470357
N-methyl-N-(1-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 115575769
1-(1,3-oxazolidin-3-yl)-3-thiophen-2-ylpropan-1-one
CID 110740009
1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 71782994
2-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)-3H-isoindol-1-one
CID 46278052
3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-thiophen-2-ylpropan-1-one
CID 42774774
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboxamide
CID 93159855
1-[4-(3-morpholin-4-ylpropanoyl)piperazin-1-yl]-5-thiophen-2-ylpentan-1-one
CID 110420641

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-morpholin-4-yl-4-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-hydroxy-1-morpholin-4-yl-4-thiophen-2-ylbutan-1-one (CID 82120337) is 4-hydroxy-1-morpholin-4-yl-4-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-hydroxy-1-morpholin-4-yl-4-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-hydroxy-1-morpholin-4-yl-4-thiophen-2-ylbutan-1-one is O=C(CCC(O)c1cccs1)N1CCOCC1.
What is the InChIKey of 4-hydroxy-1-morpholin-4-yl-4-thiophen-2-ylbutan-1-one?
The InChIKey is CFYSULCBOMIBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c14-10(11-2-1-9-17-11)3-4-12(15)13-5-7-16-8-6-13/h1-2,9-10,14H,3-8H2.
What are the key properties of 4-hydroxy-1-morpholin-4-yl-4-thiophen-2-ylbutan-1-one?
4-hydroxy-1-morpholin-4-yl-4-thiophen-2-ylbutan-1-one has a molecular weight of 255.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-morpholin-4-yl-4-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 82120337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).