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290328-57-3 molecular structure
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(3S)-3-methanesulfonylpyrrolidine

ChemBase ID: 63309
Molecular Formular: C5H11NO2S
Molecular Mass: 149.21134
Monoisotopic Mass: 149.0510496
SMILES and InChIs

SMILES:
[C@@H]1(CCNC1)S(=O)(=O)C
Canonical SMILES:
CS(=O)(=O)[C@@H]1CNCC1
InChI:
InChI=1S/C5H11NO2S/c1-9(7,8)5-2-3-6-4-5/h5-6H,2-4H2,1H3/t5-/m0/s1
InChIKey:
XCEGFNRUBBVHJT-YFKPBYRVSA-N

Cite this record

CBID:63309 http://www.chembase.cn/molecule-63309.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3S)-3-methanesulfonylpyrrolidine
IUPAC Traditional name
(3S)-3-methanesulfonylpyrrolidine
Synonyms
(S)-3-(Methylsulfonyl)pyrrolidine
CAS Number
290328-57-3
MDL Number
MFCD16294584
PubChem SID
162029048
PubChem CID
26248882

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 26248882 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.5769296  LogD (pH = 7.4) -3.438221 
Log P -1.4127948  Molar Refractivity 35.4512 cm3
Polarizability 14.948934 Å3 Polar Surface Area 46.17 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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