1-(Methylsulfonyl)piperidin-4-one - CAS 218780-53-1
Catalog: |
BB017185 |
Product Name: |
1-(Methylsulfonyl)piperidin-4-one |
CAS: |
218780-53-1 |
Synonyms: |
1-methylsulfonyl-4-piperidinone; 1-methylsulfonylpiperidin-4-one |
IUPAC Name: | 1-methylsulfonylpiperidin-4-one |
Description: | 1-(Methylsulfonyl)piperidin-4-one (CAS# 218780-53-1) is a useful research chemical. |
Molecular Weight: | 177.22 |
Molecular Formula: | C6H11NO3S |
Canonical SMILES: | CS(=O)(=O)N1CCC(=O)CC1 |
InChI: | InChI=1S/C6H11NO3S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H2,1H3 |
InChI Key: | RTBFRGCFXZNCOE-UHFFFAOYSA-N |
Boiling Point: | 320.414 °C at 760 mmHg |
Density: | 1.332 g/cm3 |
Appearance: | White solid |
MDL: | MFCD08061935 |
LogP: | 0.62960 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021107901-A1 | Bicyclic amines as cdk2 inhibitors | 20191011 |
WO-2021072232-A1 | Bicyclic amines as cdk2 inhibitors | 20191011 |
US-2020316064-A1 | Cyclin-dependent kinase 2 biomarkers and uses thereof | 20190215 |
WO-2020168178-A1 | Cyclin-dependent kinase 2 biomarkers and uses thereof | 20190215 |
TW-202045181-A | Cyclin-dependent kinase 2 biomarkers and uses thereof | 20190215 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.04596439 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.04596439 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1 |
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