2-(4-methylthiophen-2-yl)-1-morpholin-2-ylpropan-1-one

C12H17NO2S — CID 175355720

IUPAC2-(4-methylthiophen-2-yl)-1-morpholin-2-ylpropan-1-one
SMILESCc1csc(C(C)C(=O)C2CNCCO2)c1
InChIInChI=1S/C12H17NO2S/c1-8-5-11(16-7-8)9(2)12(14)10-6-13-3-4-15-10/h5,7,9-10,13H,3-4,6H2,1-2H3
InChIKeyIWOODISIKXNSLV-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.72
Rot. Bonds3

About 2-(4-methylthiophen-2-yl)-1-morpholin-2-ylpropan-1-one

2-(4-methylthiophen-2-yl)-1-morpholin-2-ylpropan-1-one (PubChem CID 175355720) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(4-methylthiophen-2-yl)-1-morpholin-2-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-methylthiophen-2-yl)-1-morpholin-2-ylpropan-1-one
PubChem CID175355720
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-(4-methylthiophen-2-yl)-1-morpholin-2-ylpropan-1-one
SMILESCc1csc(C(C)C(=O)C2CNCCO2)c1
InChIInChI=1S/C12H17NO2S/c1-8-5-11(16-7-8)9(2)12(14)10-6-13-3-4-15-10/h5,7,9-10,13H,3-4,6H2,1-2H3
InChIKeyIWOODISIKXNSLV-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylthiophen-2-yl)-3-morpholin-2-ylbutan-2-one
CID 175123055
2-(4-methylthiophen-2-yl)propanamide
CID 90822856
N-[(1R)-1-thiophen-2-ylethyl]morpholine-2-carboxamide
CID 81408817
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]morpholine-2-carboxamide
CID 119725786
2,2-difluoro-1-morpholin-2-ylethanone;hydrate;hydrochloride
CID 172639710
N-[1-(3,5-dimethylphenyl)propan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119806702
(2R)-morpholine-2-carboxamide
CID 51600069
2-benzyl-3-morpholin-2-yl-3-oxopropanoic acid
CID 19790783
ethane;1-morpholin-2-ylethanone
CID 143224838
ethane;morpholine-2-carboxylic acid
CID 170608685
N-[2-methyl-1-(2-methylphenyl)propyl]morpholine-2-carboxamide
CID 119782789
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylthiophen-2-yl)-1-morpholin-2-ylpropan-1-one?
The IUPAC name of 2-(4-methylthiophen-2-yl)-1-morpholin-2-ylpropan-1-one (CID 175355720) is 2-(4-methylthiophen-2-yl)-1-morpholin-2-ylpropan-1-one.
What is the SMILES notation for 2-(4-methylthiophen-2-yl)-1-morpholin-2-ylpropan-1-one?
The canonical SMILES for 2-(4-methylthiophen-2-yl)-1-morpholin-2-ylpropan-1-one is Cc1csc(C(C)C(=O)C2CNCCO2)c1.
What is the InChIKey of 2-(4-methylthiophen-2-yl)-1-morpholin-2-ylpropan-1-one?
The InChIKey is IWOODISIKXNSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-8-5-11(16-7-8)9(2)12(14)10-6-13-3-4-15-10/h5,7,9-10,13H,3-4,6H2,1-2H3.
What are the key properties of 2-(4-methylthiophen-2-yl)-1-morpholin-2-ylpropan-1-one?
2-(4-methylthiophen-2-yl)-1-morpholin-2-ylpropan-1-one has a molecular weight of 239.34 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylthiophen-2-yl)-1-morpholin-2-ylpropan-1-one is sourced from PubChem (CID 175355720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).