(S)-3-(Tosylamino)-2-piperidone - CAS 124288-95-5
Catalog: |
BB005867 |
Product Name: |
(S)-3-(Tosylamino)-2-piperidone |
CAS: |
124288-95-5 |
Synonyms: |
4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide |
IUPAC Name: | 4-methyl-N-[(3S)-2-oxopiperidin-3-yl]benzenesulfonamide |
Description: | (S)-3-(Tosylamino)-2-piperidone (CAS# 124288-95-5 ) is a useful research chemical. |
Molecular Weight: | 268.33 |
Molecular Formula: | C12H16N2O3S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)NC2CCCNC2=O |
InChI: | InChI=1S/C12H16N2O3S/c1-9-4-6-10(7-5-9)18(16,17)14-11-3-2-8-13-12(11)15/h4-7,11,14H,2-3,8H2,1H3,(H,13,15) |
InChI Key: | PALMXGBKWJQTIS-UHFFFAOYSA-N |
LogP: | 2.35240 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-2798129-A1 | Anti-inflammatory agents | 20100608 |
EP-2580197-A1 | Anti-inflammatory agents | 20100608 |
JP-2013528201-A | Anti-inflammatory agent | 20100608 |
KR-20130115082-A | Anti-inflammatory agent | 20100608 |
US-2013203734-A1 | Anti-inflammatory agents | 20100608 |
Complexity: | 394 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.08816355 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.08816355 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 83.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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