4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]morpholine

C17H20N2O3S — CID 77080961

IUPAC4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]morpholine
SMILESCS(=O)(=O)c1ccc(-c2ccc(CN3CCOCC3)cn2)cc1
InChIInChI=1S/C17H20N2O3S/c1-23(20,21)16-5-3-15(4-6-16)17-7-2-14(12-18-17)13-19-8-10-22-11-9-19/h2-7,12H,8-11,13H2,1H3
InChIKeyMZJDJBPMFPQAFR-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.98
Rot. Bonds4

About 4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]morpholine

4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]morpholine (PubChem CID 77080961) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]morpholine
PubChem CID77080961
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]morpholine
SMILESCS(=O)(=O)c1ccc(-c2ccc(CN3CCOCC3)cn2)cc1
InChIInChI=1S/C17H20N2O3S/c1-23(20,21)16-5-3-15(4-6-16)17-7-2-14(12-18-17)13-19-8-10-22-11-9-19/h2-7,12H,8-11,13H2,1H3
InChIKeyMZJDJBPMFPQAFR-UHFFFAOYSA-N
XLogP1.98
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Etoricoxib
CID 123619
2-(4-(Methylsulfonyl)phenyl)pyridine
CID 46937403
5-Chloro-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine
CID 443378
3-(4-Methanesulfonyl-phenyl)-2-phenyl-pyridine
CID 9926659
3-(4-Methanesulfonyl-phenyl)-5-methyl-[2,3'']bipyridinyl
CID 9967049
3-(4-Methanesulfonyl-phenyl)-5-trifluoromethyl-[2,3'']bipyridinyl
CID 10199643
5-Chloro-6''-ethyl-3-(4-methanesulfonyl-phenyl)-[2,3'']bipyridinyl
CID 10292693
5-(4,5-Difluoro-4''-methanesulfonyl-biphenyl-2-yl)-2-methyl-pyridine
CID 10570444
3-(3,4-Dimethyl-benzenesulfonyl)-4-(morpholin-4-yl)-quinoline
CID 16202228
3-(4-Methanesulfonyl-phenyl)-[2,3'']bipyridinyl
CID 44326499
2-[2-(4-Methylsulfonylphenyl)ethynyl]pyridine
CID 44452400
3-(4-Methylthiobenzylidene)anabaseine
CID 46702530

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]morpholine?
The IUPAC name of 4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]morpholine (CID 77080961) is 4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]morpholine.
What is the SMILES notation for 4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]morpholine?
The canonical SMILES for 4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]morpholine is CS(=O)(=O)c1ccc(-c2ccc(CN3CCOCC3)cn2)cc1.
What is the InChIKey of 4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]morpholine?
The InChIKey is MZJDJBPMFPQAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-23(20,21)16-5-3-15(4-6-16)17-7-2-14(12-18-17)13-19-8-10-22-11-9-19/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]morpholine?
4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]morpholine has a molecular weight of 332.43 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]morpholine is sourced from PubChem (CID 77080961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).