6-(5-chlorothiophen-2-yl)-6-methylmorpholin-3-one

C9H10ClNO2S — CID 117159151

IUPAC6-(5-chlorothiophen-2-yl)-6-methylmorpholin-3-one
SMILESCC1(c2ccc(Cl)s2)CNC(=O)CO1
InChIInChI=1S/C9H10ClNO2S/c1-9(5-11-8(12)4-13-9)6-2-3-7(10)14-6/h2-3H,4-5H2,1H3,(H,11,12)
InChIKeyVBBBFHRENPULEW-UHFFFAOYSA-N
MW231.70 g/mol
LogP1.76
Rot. Bonds1

About 6-(5-chlorothiophen-2-yl)-6-methylmorpholin-3-one

6-(5-chlorothiophen-2-yl)-6-methylmorpholin-3-one (PubChem CID 117159151) has the molecular formula C9H10ClNO2S and a molecular weight of 231.70 g/mol. Its IUPAC name is 6-(5-chlorothiophen-2-yl)-6-methylmorpholin-3-one.

Molecular Properties

Compound Name6-(5-chlorothiophen-2-yl)-6-methylmorpholin-3-one
PubChem CID117159151
Molecular FormulaC9H10ClNO2S
Molecular Weight231.70 g/mol
Exact Mass231.01
IUPAC Name6-(5-chlorothiophen-2-yl)-6-methylmorpholin-3-one
SMILESCC1(c2ccc(Cl)s2)CNC(=O)CO1
InChIInChI=1S/C9H10ClNO2S/c1-9(5-11-8(12)4-13-9)6-2-3-7(10)14-6/h2-3H,4-5H2,1H3,(H,11,12)
InChIKeyVBBBFHRENPULEW-UHFFFAOYSA-N
XLogP1.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-bromophenyl)-6-methylmorpholin-3-one
CID 117159225
6-methyl-6-(5-methylfuran-2-yl)morpholin-3-one
CID 117159146
6-methyl-6-(3-methylphenyl)morpholin-3-one
CID 117159206
2-(5-chlorothiophen-2-yl)-2,5,5-trimethyl-1,3-oxazolidine
CID 117228975
4-(5-chlorothiophen-2-yl)-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one
CID 66106371
5-(5-chlorothiophen-2-yl)-5-methyloxolane-2-carboxylic acid
CID 130585178
8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-1,3-diazaspiro[4.5]decan-2-one
CID 130200947
(6S)-6-ethyl-6-methylmorpholin-3-one
CID 162867186
(1S,5S)-1-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexan-2-one
CID 130951441
N-[(5-chlorothiophen-2-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 28675211
4-[3-(5-chlorothiophen-2-yl)oxetan-3-yl]butan-2-one
CID 116873896
6-methyl-6-[(2-methylphenyl)methyl]morpholin-3-one
CID 117159172

Frequently Asked Questions

What is the IUPAC name of 6-(5-chlorothiophen-2-yl)-6-methylmorpholin-3-one?
The IUPAC name of 6-(5-chlorothiophen-2-yl)-6-methylmorpholin-3-one (CID 117159151) is 6-(5-chlorothiophen-2-yl)-6-methylmorpholin-3-one.
What is the SMILES notation for 6-(5-chlorothiophen-2-yl)-6-methylmorpholin-3-one?
The canonical SMILES for 6-(5-chlorothiophen-2-yl)-6-methylmorpholin-3-one is CC1(c2ccc(Cl)s2)CNC(=O)CO1.
What is the InChIKey of 6-(5-chlorothiophen-2-yl)-6-methylmorpholin-3-one?
The InChIKey is VBBBFHRENPULEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2S/c1-9(5-11-8(12)4-13-9)6-2-3-7(10)14-6/h2-3H,4-5H2,1H3,(H,11,12).
What are the key properties of 6-(5-chlorothiophen-2-yl)-6-methylmorpholin-3-one?
6-(5-chlorothiophen-2-yl)-6-methylmorpholin-3-one has a molecular weight of 231.70 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chlorothiophen-2-yl)-6-methylmorpholin-3-one is sourced from PubChem (CID 117159151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).