2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone

C13H17NO2S — CID 78793597

IUPAC2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone
SMILESCOc1ccc(CC(=O)N2CCSCC2)cc1
InChIInChI=1S/C13H17NO2S/c1-16-12-4-2-11(3-5-12)10-13(15)14-6-8-17-9-7-14/h2-5H,6-10H2,1H3
InChIKeyRCVCHQHMGYPTII-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.81
Rot. Bonds3

About 2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone

2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone (PubChem CID 78793597) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone
PubChem CID78793597
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone
SMILESCOc1ccc(CC(=O)N2CCSCC2)cc1
InChIInChI=1S/C13H17NO2S/c1-16-12-4-2-11(3-5-12)10-13(15)14-6-8-17-9-7-14/h2-5H,6-10H2,1H3
InChIKeyRCVCHQHMGYPTII-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110866811
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
2-(4-methoxyphenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 110721524
3-methoxy-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 108534028
1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 67585408
N,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110365832
1-[4-(2-bromoethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 80660719
1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 63106560
4-[2-(4-methoxyphenyl)acetyl]-N,N-dimethyl-1,4-diazepane-1-carboxamide
CID 110359176
2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone
CID 113075099

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone (CID 78793597) is 2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone is COc1ccc(CC(=O)N2CCSCC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone?
The InChIKey is RCVCHQHMGYPTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-16-12-4-2-11(3-5-12)10-13(15)14-6-8-17-9-7-14/h2-5H,6-10H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone?
2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone has a molecular weight of 251.35 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 78793597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).