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60933-63-3 molecular structure
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[(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonamide

ChemBase ID: 151643
Molecular Formular: C10H17NO3S
Molecular Mass: 231.31188
Monoisotopic Mass: 231.09291441
SMILES and InChIs

SMILES:
CC1([C@@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)N)C
Canonical SMILES:
O=C1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N)(C)C
InChI:
InChI=1S/C10H17NO3S/c1-9(2)7-3-4-10(9,8(12)5-7)6-15(11,13)14/h7H,3-6H2,1-2H3,(H2,11,13,14)/t7-,10-/m1/s1
InChIKey:
SBLUNABTQYDFJM-GMSGAONNSA-N

Cite this record

CBID:151643 http://www.chembase.cn/molecule-151643.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonamide
IUPAC Traditional name
[(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonamide
Synonyms
(1S)-10-Camphorsulfonamide
(1S)-10-樟脑磺酰胺
CAS Number
60933-63-3
MDL Number
MFCD00075611
PubChem SID
24863455
162245793
PubChem CID
676164

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
376612 external link Add to cart Please log in.
Data Source Data ID
PubChem 676164 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.0640335  H Acceptors
H Donor LogD (pH = 5.5) 0.4077207 
LogD (pH = 7.4) 0.4068982  Log P 0.4077312 
Molar Refractivity 56.1961 cm3 Polarizability 23.134464 Å3
Polar Surface Area 77.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
129-132 °C(lit.) expand Show data source
Optical Rotation
[α]20/D +22°, c = 1 in methanol expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Purity
96% expand Show data source
Empirical Formula (Hill Notation)
C10H17NO3S expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 376612 external link
Other Notes
Sign of optical rotation varies with solvent
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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