methyl 4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholine-3-carboxylate

C15H21NO5S2 — CID 68723865

IUPACmethyl 4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholine-3-carboxylate
SMILESCOC(=O)C1CSCCN1S(=O)(=O)c1c(C)cc(OC)cc1C
InChIInChI=1S/C15H21NO5S2/c1-10-7-12(20-3)8-11(2)14(10)23(18,19)16-5-6-22-9-13(16)15(17)21-4/h7-8,13H,5-6,9H2,1-4H3
InChIKeyOQWZLSVFPVSACE-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.59
Rot. Bonds4

About methyl 4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholine-3-carboxylate

methyl 4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholine-3-carboxylate (PubChem CID 68723865) has the molecular formula C15H21NO5S2 and a molecular weight of 359.47 g/mol. Its IUPAC name is methyl 4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholine-3-carboxylate
PubChem CID68723865
Molecular FormulaC15H21NO5S2
Molecular Weight359.47 g/mol
Exact Mass359.09
IUPAC Namemethyl 4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholine-3-carboxylate
SMILESCOC(=O)C1CSCCN1S(=O)(=O)c1c(C)cc(OC)cc1C
InChIInChI=1S/C15H21NO5S2/c1-10-7-12(20-3)8-11(2)14(10)23(18,19)16-5-6-22-9-13(16)15(17)21-4/h7-8,13H,5-6,9H2,1-4H3
InChIKeyOQWZLSVFPVSACE-UHFFFAOYSA-N
XLogP1.59
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(4-methylphenyl)sulfonylthiomorpholine-3-carboxylate
CID 54857195
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[[4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholin-3-yl]methoxy]ethanone
CID 143534584
[(2S)-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110285973
2-[[4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholin-3-yl]methoxy]-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 71165980
4-(4-methoxy-3-methylphenyl)sulfonylthiomorpholine-3-carboxylic acid
CID 78979746
2-[[4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholin-3-yl]methoxy]-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 71166052
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylpyrrolidine
CID 110728257
ethyl 4-(3-aminophenyl)sulfonylthiomorpholine-3-carboxylate
CID 61116708
1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-[[4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholin-3-yl]methoxy]ethanone
CID 143534351
1,4-bis[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]butan-1-one
CID 68644209
1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane
CID 47173260
(E)-3-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]prop-2-enoic acid
CID 66754987

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholine-3-carboxylate?
The IUPAC name of methyl 4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholine-3-carboxylate (CID 68723865) is methyl 4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholine-3-carboxylate?
The canonical SMILES for methyl 4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholine-3-carboxylate is COC(=O)C1CSCCN1S(=O)(=O)c1c(C)cc(OC)cc1C.
What is the InChIKey of methyl 4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholine-3-carboxylate?
The InChIKey is OQWZLSVFPVSACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5S2/c1-10-7-12(20-3)8-11(2)14(10)23(18,19)16-5-6-22-9-13(16)15(17)21-4/h7-8,13H,5-6,9H2,1-4H3.
What are the key properties of methyl 4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholine-3-carboxylate?
methyl 4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholine-3-carboxylate has a molecular weight of 359.47 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholine-3-carboxylate is sourced from PubChem (CID 68723865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).