| CAS Number | 727704-78-1 |
| Catalog Number | AG019IKI |
| Chemical Name | 2-Isopropoxy-5-(piperidin-1-ylsulfonyl)aniline |
| IUPAC Name | 5-piperidin-1-ylsulfonyl-2-propan-2-yloxyaniline |
| InChI | InChI=1S/C14H22N2O3S/c1-11(2)19-14-7-6-12(10-13(14)15)20(17,18)16-8-4-3-5-9-16/h6-7,10-11H,3-5,8-9,15H2,1-2H3 |
| InChI Key | YQGAQXKCPOUPGH-UHFFFAOYSA-N |
| MDL Number | MFCD04618166 |
| Molecular Formula | C14H22N2O3S |
| Molecular Weight | 298.4011 |
| SMILES | CC(OC1=C(N)C=C(S(N2CCCCC2)(=O)=O)C=C1)C |
| Synonyms | 5-(piperidine-1-sulfonyl)-2-(propan-2-yloxy)aniline,
727704-78-1,
2-isopropoxy-5-(piperidin-1-ylsulfonyl)aniline,
AC1Q1QOX,
AC1MVQ83,
CTK6B0844,
ZINC3886788,
AKOS034467042,
MCULE-8160028449,
NE36374,
EN300-06983,
5-piperidin-1-ylsulfonyl-2-propan-2-yloxyaniline,
SR-01000046396,
SR-01000046396-1,
Z56939197,
ZINC03886788,
CID3687249,
|
| Complexity | 399 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.135g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.401g/mol |
| Monoisotopic Mass | 298.135g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 81A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number