CAS 94594-90-8|(1S,5S,7S)-10,10-dimethyl-3$l^{6}-thia-4-azatricyclo[5.2.1.0^{1,5}]decane-3,3-dione|(1S,5S,7S)-10,10-dimethyl-3$l^{6}-thia-4-azatricyclo[5.2.1.0^{1,5}]decane-3,3-dione|(1S)-(-)-2,10-C...

General Information

Structure

Molecular Formula

C₁₀H₁₇NO₂S

Molecular Mass

215.31248

Exact Mass

215.09799979

Charge

InChI

InChI=1S/C10H17NO2S/c1-9(2)7-3-4-10(9)6-14(12,13)11-8(10)5-7/h7-8,11H,3-6H2,1-2H3/t7-,8-,10+/m0/s1

InChIKey

DPJYJNYYDJOJNO-OYNCUSHFSA-N

Canonic Smiles

O=S1(=O)N[C@@H]2[C@]3(C1)CC[C@@H](C2)C3(C)C

Isomeric Smiles

S1(=O)(=O)N[C@@H]2[C@]3(C1)CC[C@@H](C2)C3(C)C

Calculated Properties

JChem

Acid pKa

10.407443

H Acceptors

H Donor

LogD (pH = 5.5)

0.5864519

LogD (pH = 7.4)

0.5860786

Log P

0.58645666

Molar Refractivity

53.6538

Polarizability

22.299479

Polar Surface Area

46.17

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC Traditional name

(1S,5S,7S)-10,10-dimethyl-3$l^{6}-thia-4-azatricyclo[5.2.1.0^{1,5}]decane-3,3-dione (1S,5S,7S)-10,10-dimethyl-3λ⁶-thia-4-azatricyclo[5.2.1.0¹,⁵]decane-3,3-dione

IUPAC name

(1S,5S,7S)-10,10-dimethyl-3$l^{6}-thia-4-azatricyclo[5.2.1.0^{1,5}]decane-3,3-dione (1S,5S,7S)-10,10-dimethyl-3λ⁶-thia-4-azatricyclo[5.2.1.0¹,⁵]decane-3,3-dione

Synonyms

(1S)-(-)-2,10-Camphorsultam

Names and Identifiers

Registration numbers

PubChem CID

PubChem SID

CAS Number

MDL Number