| CAS Number | 122030-80-2 |
| Catalog Number | AG01DYJ6(AGN-PC-0O0CRF) |
| Chemical Name | [(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methanol |
| IUPAC Name | [(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methanol |
| InChI | InChI=1S/C11H15NO3S/c13-9-10-5-4-8-12(10)16(14,15)11-6-2-1-3-7-11/h1-3,6-7,10,13H,4-5,8-9H2/t10-/m0/s1 |
| InChI Key | VDRGQWKLTZSRAY-JTQLQIEISA-N |
| MDL Number | MFCD11611368 |
| Molecular Formula | C11H15NO3S |
| Molecular Weight | 241.3067 |
| SMILES | OC[C@H]1N(S(C2=CC=CC=C2)(=O)=O)CCC1 |
| Synonyms | N-benzenesulfonyl prolinol,
SCHEMBL17600734,
VDRGQWKLTZSRAY-JTQLQIEISA-N,
AKOS015605229,
(S)-(1-(phenylsulfonyl)pyrrolidin-2-yl)methanol,
(2S)-1-(Phenylsulfonyl)pyrrolidine-2alpha-methanol,
[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methanol,
122030-80-2,
|
| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.077265g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.31g/mol |
| Monoisotopic Mass | 241.077265g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number