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129888-60-4 molecular structure
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tert-butyl 3-(methanesulfonyloxy)piperidine-1-carboxylate

ChemBase ID: 63622
Molecular Formular: C11H21NO5S
Molecular Mass: 279.35314
Monoisotopic Mass: 279.11404378
SMILES and InChIs

SMILES:
C1N(C(=O)OC(C)(C)C)CC(OS(=O)(=O)C)CC1
Canonical SMILES:
O=C(N1CCCC(C1)OS(=O)(=O)C)OC(C)(C)C
InChI:
InChI=1S/C11H21NO5S/c1-11(2,3)16-10(13)12-7-5-6-9(8-12)17-18(4,14)15/h9H,5-8H2,1-4H3
InChIKey:
WLAZHMYDLUILKR-UHFFFAOYSA-N

Cite this record

CBID:63622 http://www.chembase.cn/molecule-63622.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 3-(methanesulfonyloxy)piperidine-1-carboxylate
IUPAC Traditional name
tert-butyl 3-(methanesulfonyloxy)piperidine-1-carboxylate
Synonyms
tert-Butyl 3-methylsulfonyloxypiperidine-1-carboxylate
CAS Number
129888-60-4
MDL Number
MFCD07787193
PubChem SID
162029361
PubChem CID
568122

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 568122 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.80194134  LogD (pH = 7.4) 0.80194134 
Log P 0.80194134  Molar Refractivity 65.9445 cm3
Polarizability 27.153282 Å3 Polar Surface Area 72.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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