1-(2,5-dichlorothiophen-3-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone

C12H15Cl2NO2S — CID 43797361

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone
SMILESCC1(C)CN(CC(=O)c2cc(Cl)sc2Cl)CCO1
InChIInChI=1S/C12H15Cl2NO2S/c1-12(2)7-15(3-4-17-12)6-9(16)8-5-10(13)18-11(8)14/h5H,3-4,6-7H2,1-2H3
InChIKeyGGQPXNYMEOPMMG-UHFFFAOYSA-N
MW308.23 g/mol
LogP3.35
Rot. Bonds3

About 1-(2,5-dichlorothiophen-3-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone

1-(2,5-dichlorothiophen-3-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone (PubChem CID 43797361) has the molecular formula C12H15Cl2NO2S and a molecular weight of 308.23 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone
PubChem CID43797361
Molecular FormulaC12H15Cl2NO2S
Molecular Weight308.23 g/mol
Exact Mass307.02
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone
SMILESCC1(C)CN(CC(=O)c2cc(Cl)sc2Cl)CCO1
InChIInChI=1S/C12H15Cl2NO2S/c1-12(2)7-15(3-4-17-12)6-9(16)8-5-10(13)18-11(8)14/h5H,3-4,6-7H2,1-2H3
InChIKeyGGQPXNYMEOPMMG-UHFFFAOYSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.23
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)ethanone
CID 43797387
2-(2,2-dimethylmorpholin-4-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 43797424
1-(2,6-difluorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethanone
CID 43797360
2-(1,4-diazepan-1-yl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 60710450
1-(2,5-dichlorothiophen-3-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 55216582
N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
CID 43592349
2-(2,2-dimethylmorpholin-4-yl)-1-piperidin-1-ylethanone
CID 70907050
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 81097946
2-(2,2-dimethyl-1,4-oxazepan-4-yl)acetamide
CID 130684724
2-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid
CID 43592998
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylmorpholin-4-yl)ethanone
CID 43796472
2-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenol
CID 82976790

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone (CID 43797361) is 1-(2,5-dichlorothiophen-3-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone is CC1(C)CN(CC(=O)c2cc(Cl)sc2Cl)CCO1.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone?
The InChIKey is GGQPXNYMEOPMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2S/c1-12(2)7-15(3-4-17-12)6-9(16)8-5-10(13)18-11(8)14/h5H,3-4,6-7H2,1-2H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone?
1-(2,5-dichlorothiophen-3-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone has a molecular weight of 308.23 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 43797361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).