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(6R,8S)-7,7-dichloro-11,11-dimethyl-5-oxa-3λ6-thia-4-azatetracyclo[6.2.1.01,6.04,6]undecane-3,3-dione
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ChemBase ID:
151829
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Molecular Formular:
C10H13Cl2NO3S
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Molecular Mass:
298.18612
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Monoisotopic Mass:
296.99931964
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SMILES and InChIs
SMILES:
CC1([C@@H]2CCC31CS(=O)(=O)N1[C@@]3(C2(Cl)Cl)O1)C
Canonical SMILES:
O=S1(=O)CC23[C@]4(N1O4)C([C@H](C3(C)C)CC2)(Cl)Cl
InChI:
InChI=1S/C10H13Cl2NO3S/c1-7(2)6-3-4-8(7)5-17(14,15)13-10(8,16-13)9(6,11)12/h6H,3-5H2,1-2H3/t6-,8?,10+,13?/m0/s1
InChIKey:
HAMBQYFZDBYWHU-DRHCSTJVSA-N
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Cite this record
CBID:151829 http://www.chembase.cn/molecule-151829.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(6R,8S)-7,7-dichloro-11,11-dimethyl-5-oxa-3λ6-thia-4-azatetracyclo[6.2.1.01,6.04,6]undecane-3,3-dione
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IUPAC Traditional name
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(6R,8S)-7,7-dichloro-11,11-dimethyl-5-oxa-3λ6-thia-4-azatetracyclo[6.2.1.01,6.04,6]undecane-3,3-dione
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Synonyms
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[2R-(2α,4aα,7α,8aR*)]-8,8-Dichlorotetrahydro-9,9-dimethyl-4H-4a,7-methanooxazirino[3,2-i][2,1]benzisothiazole 3,3-Dioxide
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(+)-[(8,8-Dichlorocamphoryl)sulfonyl]oxaziridine
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(+)-3,3-Dichloro-2,N-epoxy-exo-10,2-bornanesultam
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(+)-(8,8-Dichlorocamphorylsulfonyl)oxaziridine
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(+)-3,3-二氯-2,N-环氧-外型-10,2-莰烷磺内酰胺
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(+)-8,8-二氯樟脑磺哑嗪
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CAS Number
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MDL Number
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Beilstein Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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3
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H Donor
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0
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LogD (pH = 5.5)
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2.37666
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LogD (pH = 7.4)
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2.37666
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Log P
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2.37666
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Molar Refractivity
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62.9889 cm3
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Polarizability
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26.158161 Å3
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Polar Surface Area
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49.68 Å2
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Rotatable Bonds
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0
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
Sigma Aldrich
TRC
Sigma Aldrich -
35603
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Other Notes Chiral oxidizing agent1,2 Packaging 5, 25 g in glass bottle |
PATENTS
PATENTS
PubChem Patent
Google Patent