1-(Methylsulfonyl)-3-pyrroline - CAS 246540-50-1
Catalog: |
BB018571 |
Product Name: |
1-(Methylsulfonyl)-3-pyrroline |
CAS: |
246540-50-1 |
Synonyms: |
1-methylsulfonyl-2,5-dihydropyrrole; 1-methylsulfonyl-2,5-dihydropyrrole |
IUPAC Name: | 1-methylsulfonyl-2,5-dihydropyrrole |
Description: | 1-(Methylsulfonyl)-3-pyrroline (CAS# 246540-50-1) is a byproduct in the synthesis of bridgehead azabicyclic compounds. |
Molecular Weight: | 147.20 |
Molecular Formula: | C5H9NO2S |
Canonical SMILES: | CS(=O)(=O)N1CC=CC1 |
InChI: | InChI=1S/C5H9NO2S/c1-9(7,8)6-4-2-3-5-6/h2-3H,4-5H2,1H3 |
InChI Key: | MYAFMESORGRBTJ-UHFFFAOYSA-N |
LogP: | 0.83650 |
Publication Number | Title | Priority Date |
CN-105143221-B | Compound and its pharmaceutical composition for treating inflammatory disorder | 20130314 |
JP-6517976-B2 | Compounds for the treatment of inflammatory disorders and pharmaceutical compositions thereof | 20130314 |
CN-104903320-B | Nitrogen-containing heterocycle compound or its salt | 20130111 |
CA-2651072-A1 | Substituted 2-amino-fused heterocyclic compounds | 20060501 |
JP-2009535393-A | Substituted 2-amino fused heterocyclic compounds | 20060501 |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 147.0353997 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 147.0353997 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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