1-(4-methoxyphenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone

C14H19NO4S2 — CID 66384341

IUPAC1-(4-methoxyphenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone
SMILESCOc1ccc(C(=O)CN2CCSCC2S(C)(=O)=O)cc1
InChIInChI=1S/C14H19NO4S2/c1-19-12-5-3-11(4-6-12)13(16)9-15-7-8-20-10-14(15)21(2,17)18/h3-6,14H,7-10H2,1-2H3
InChIKeyXCOIHWHXDCUTIX-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.30
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone

1-(4-methoxyphenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone (PubChem CID 66384341) has the molecular formula C14H19NO4S2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone
PubChem CID66384341
Molecular FormulaC14H19NO4S2
Molecular Weight329.44 g/mol
Exact Mass329.08
IUPAC Name1-(4-methoxyphenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone
SMILESCOc1ccc(C(=O)CN2CCSCC2S(C)(=O)=O)cc1
InChIInChI=1S/C14H19NO4S2/c1-19-12-5-3-11(4-6-12)13(16)9-15-7-8-20-10-14(15)21(2,17)18/h3-6,14H,7-10H2,1-2H3
InChIKeyXCOIHWHXDCUTIX-UHFFFAOYSA-N
XLogP1.30
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(furan-2-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone
CID 66382608
(4-aminophenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66383330
2-(3-methylsulfonylthiomorpholin-4-yl)-1-(4-nitro-1H-pyrrol-2-yl)ethanone
CID 66383578
4-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazin-2-one
CID 63607166
2-(3-hydroxyazetidin-1-yl)-1-(4-methoxyphenyl)ethanone
CID 121200224
4-[(4-iodophenyl)methyl]-3-methylsulfonylthiomorpholine
CID 66383011
1-(4-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 62777262
2-(3-ethylmorpholin-4-yl)-1-(4-methoxyphenyl)ethanone
CID 43797594
3-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-2-one
CID 63602736
1-[2-(4-methoxyphenyl)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 62030100
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(4-methoxyphenyl)ethanone
CID 103535688
1-(3-methylsulfonylthiomorpholin-4-yl)-2-phenylpropan-2-ol
CID 66383197

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone (CID 66384341) is 1-(4-methoxyphenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone is COc1ccc(C(=O)CN2CCSCC2S(C)(=O)=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone?
The InChIKey is XCOIHWHXDCUTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S2/c1-19-12-5-3-11(4-6-12)13(16)9-15-7-8-20-10-14(15)21(2,17)18/h3-6,14H,7-10H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone?
1-(4-methoxyphenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone has a molecular weight of 329.44 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethanone is sourced from PubChem (CID 66384341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).