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108448-77-7 molecular structure
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(1R)-10,10-dimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane-4,4-dione

ChemBase ID: 286684
Molecular Formular: C10H17NO2S
Molecular Mass: 215.31248
Monoisotopic Mass: 215.09799979
SMILES and InChIs

SMILES:
CC1(C)[C@@]23CNS(=O)(=O)C3CC1CC2
Canonical SMILES:
O=S1(=O)NC[C@@]23C1CC(C3(C)C)CC2
InChI:
InChI=1S/C10H17NO2S/c1-9(2)7-3-4-10(9)6-11-14(12,13)8(10)5-7/h7-8,11H,3-6H2,1-2H3/t7?,8?,10-/m1/s1
InChIKey:
STJNBFBNHBGLRO-SFVIPPHHSA-N

Cite this record

CBID:286684 http://www.chembase.cn/molecule-286684.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1R)-10,10-dimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane-4,4-dione
IUPAC Traditional name
(1R)-10,10-dimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane-4,4-dione
Synonyms
(1R)-(+)-2,10,Camphorsultam
CAS Number
108448-77-7
MDL Number
MFCD00151762
PubChem SID
180672215
PubChem CID
18392861

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD17478 Please log in.
Data Source Data ID
PubChem 18392861 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.319705  H Acceptors
H Donor LogD (pH = 5.5) 0.73864 
LogD (pH = 7.4) 0.73818326  Log P 0.73864585 
Molar Refractivity 53.7776 cm3 Polarizability 22.299479 Å3
Polar Surface Area 46.17 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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