| CAS Number | 1052541-78-2 |
| Catalog Number | AG00HALV(AGN-PC-00VIT0) |
| Chemical Name | 1-(1,1-Dioxidotetrahydrothiophen-3-yl)piperidine-4-carboxylic acid hydrochloride |
| IUPAC Name | 1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C10H17NO4S.ClH/c12-10(13)8-1-4-11(5-2-8)9-3-6-16(14,15)7-9;/h8-9H,1-7H2,(H,12,13);1H |
| InChI Key | TTZXLLFPKRKVIQ-UHFFFAOYSA-N |
| MDL Number | MFCD07345681 |
| Molecular Formula | C10H18ClNO4S |
| Molecular Weight | 283.7722 |
| SMILES | Cl.OC(C1CCN(C2CS(=O)(=O)CC2)CC1)=O |
| Synonyms | 1052541-78-2,
1-(1,1-dioxidotetrahydrothien-3-yl)piperidine-4-carboxylic acid hydrochloride,
1-(1,1-Dioxidotetrahydrothiophen-3-yl)piperidine-4-carboxylic acid hydrochloride,
AC1Q3EZ6,
CTK7J0078,
AKOS022185500,
MCULE-9957634199,
NE38860,
EN300-14663,
Z104378292,
1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxylic acidhydrochloride,
1-(1,1-dioxo-1??-thiolan-3-yl)piperidine-4-carboxylic acid hydrochloride,
1-(1,1-dioxo-1lambda-thiolan-3-yl)piperidine-4-carboxylic acid hydrochloride,
1-(1,1-dioxo-1lambda6-thiolan-3-yl)piperidine-4-carboxylic acid hydrochloride,
|
| Complexity | 365 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.767g/mol |
| Monoisotopic Mass | 283.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number