| CAS Number | 423722-27-4 |
| Catalog Number | AG01AN7N(AGN-PC-0WC87L) |
| Chemical Name | 1-(Methylsulfonyl)-4-piperidineacetic acid |
| IUPAC Name | 2-(1-methylsulfonylpiperidin-4-yl)acetic acid |
| InChI | InChI=1S/C8H15NO4S/c1-14(12,13)9-4-2-7(3-5-9)6-8(10)11/h7H,2-6H2,1H3,(H,10,11) |
| InChI Key | OBQRJDKKTBFCTK-UHFFFAOYSA-N |
| MDL Number | MFCD11585618 |
| Molecular Formula | C8H15NO4S |
| Molecular Weight | 221.2740 |
| SMILES | CS(N1CCC(CC(O)=O)CC1)(=O)=O |
| Synonyms | 423722-27-4,
2-(1-(METHYLSULFONYL)PIPERIDIN-4-YL)ACETIC ACID,
[1-(methylsulfonyl)piperidin-4-yl]acetic acid,
(1-methanesulfonyl-piperidin-4-yl)-acetic acid,
SCHEMBL2315423,
OBQRJDKKTBFCTK-UHFFFAOYSA-N,
3117AE,
ZINC19685892,
AKOS015921605,
CCG-211544,
1-(Methylsulfonyl)-4-piperidineacetic acid,
(1-methanesulfonylpiperidin-4-yl)acetic acid,
2-(1-methanesulfonylpiperidin-4-yl)acetic acid,
BRD-K17924445-001-01-8,
C8H15NO4S,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.271g/mol |
| Monoisotopic Mass | 221.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number