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503469-23-6 molecular structure
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2-methyl-4-(4-methylbenzenesulfonyl)morpholine

ChemBase ID: 292742
Molecular Formular: C12H17NO3S
Molecular Mass: 255.33328
Monoisotopic Mass: 255.09291441
SMILES and InChIs

SMILES:
O=S(=O)(N1CC(C)OCC1)c1ccc(C)cc1
Canonical SMILES:
CC1OCCN(C1)S(=O)(=O)c1ccc(cc1)C
InChI:
InChI=1S/C12H17NO3S/c1-10-3-5-12(6-4-10)17(14,15)13-7-8-16-11(2)9-13/h3-6,11H,7-9H2,1-2H3
InChIKey:
XDXWOKFNRGHQSV-UHFFFAOYSA-N

Cite this record

CBID:292742 http://www.chembase.cn/molecule-292742.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-4-(4-methylbenzenesulfonyl)morpholine
IUPAC Traditional name
2-methyl-4-(4-methylbenzenesulfonyl)morpholine
Synonyms
2-Methyl-4-tosylmorpholine
CAS Number
503469-23-6
PubChem SID
180678273
PubChem CID
21106412

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241606 Please log in.
Data Source Data ID
PubChem 21106412 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7381247  LogD (pH = 7.4) 1.7381247 
Log P 1.7381247  Molar Refractivity 66.5438 cm3
Polarizability 26.55394 Å3 Polar Surface Area 46.61 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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