| CAS Number | 1038273-91-4 |
| Catalog Number | AG00J2LH(AGN-PC-0WB614) |
| Chemical Name | 1-(Piperidin-1-ylsulfonyl)-1,4-diazepane |
| IUPAC Name | 1-piperidin-1-ylsulfonyl-1,4-diazepane |
| InChI | InChI=1S/C10H21N3O2S/c14-16(15,12-7-2-1-3-8-12)13-9-4-5-11-6-10-13/h11H,1-10H2 |
| InChI Key | RZDQFURGAFOELV-UHFFFAOYSA-N |
| MDL Number | MFCD11168861 |
| Molecular Formula | C10H21N3O2S |
| Molecular Weight | 247.3576 |
| SMILES | S(=O)(=O)(N1CCCCC1)N1CCCNCC1 |
| Synonyms | 1038273-91-4,
1-(1-piperidinylsulfonyl)-1,4-diazepane,
1-(piperidin-1-ylsulfonyl)-1,4-diazepane,
BBL031865,
MFCD11168861,
STL245018,
ZINC20218450,
AKOS005261612,
MCULE-7096277387,
Y-6686,
1-piperidin-1-ylsulfonyl-1,4-diazepane,
|
| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.135g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.357g/mol |
| Monoisotopic Mass | 247.135g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number