| CAS Number | 1384431-33-7 |
| Catalog Number | AG019YZ6(AGN-PC-0WOBM7) |
| Chemical Name | 1-Thia-4-azaspiro[5.5]undecane, 1,1-dioxide |
| IUPAC Name | 1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide |
| InChI | InChI=1S/C9H17NO2S/c11-13(12)7-6-10-8-9(13)4-2-1-3-5-9/h10H,1-8H2 |
| InChI Key | YOMJMEVABFAKSW-UHFFFAOYSA-N |
| MDL Number | MFCD22196590 |
| Molecular Formula | C9H17NO2S |
| Molecular Weight | 203.3018 |
| SMILES | O=S1(C2(CCCCC2)CNCC1)=O |
| Synonyms | 1384431-33-7,
1-Thia-4-azaspiro[5.5]undecane 1,1-dioxide,
1$l^{6}-thia-4-azaspiro[5.5]undecane-1,1-dione,
ZINC74941950,
AKOS026729814,
MCULE-8247071871,
NE16830,
1??-thia-4-azaspiro[5.5]undecane-1,1-dione,
1lambda-thia-4-azaspiro[5.5]undecane-1,1-dione,
1lambda6-thia-4-azaspiro[5.5]undecane-1,1-dione,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.3g/mol |
| Monoisotopic Mass | 203.098g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number