| CAS Number | 794582-39-1 |
| Catalog Number | AG019NQ7 |
| Chemical Name | 1-(2,3-dihydro-1H-indene-5-sulfonyl)piperazine |
| IUPAC Name | 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine |
| InChI | InChI=1S/C13H18N2O2S/c16-18(17,15-8-6-14-7-9-15)13-5-4-11-2-1-3-12(11)10-13/h4-5,10,14H,1-3,6-9H2 |
| InChI Key | XPBFJJXSHATUKG-UHFFFAOYSA-N |
| MDL Number | MFCD06368075 |
| Molecular Formula | C13H18N2O2S |
| Molecular Weight | 266.3592 |
| SMILES | O=S(C1=CC2=C(CCC2)C=C1)(N1CCNCC1)=O |
| Synonyms | 1-(2,3-dihydro-1H-indene-5-sulfonyl)piperazine,
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine,
794582-39-1,
AC1M7JED,
AC1Q6VKD,
MLS002163988,
CHEMBL1475172,
CTK7I1987,
HMS3006B23,
ZINC34802284,
AKOS008967620,
MCULE-2124543532,
NE39607,
SMR001246367,
EN300-11494,
SR-01000060862,
SR-01000060862-1,
Z57048968,
CID2443018,
|
| Complexity | 384 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.359g/mol |
| Monoisotopic Mass | 266.109g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number