| CAS Number | 139669-27-5 |
| Catalog Number | AG01AI3F(AGN-PC-03KUIE) |
| Chemical Name | Pentane-3-sulfonamide |
| IUPAC Name | pentane-3-sulfonamide |
| InChI | InChI=1S/C5H13NO2S/c1-3-5(4-2)9(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8) |
| InChI Key | ZKISUKMFGBUUPV-UHFFFAOYSA-N |
| MDL Number | MFCD16672014 |
| Molecular Formula | C5H13NO2S |
| Molecular Weight | 151.2272 |
| SMILES | CCC(S(N)(=O)=O)CC |
| Synonyms | pentane-3-sulfonamide,
139669-27-5,
3-Pentanesulfonamide,
SCHEMBL224724,
ZKISUKMFGBUUPV-UHFFFAOYSA-N,
ZINC50350332,
AKOS011364073,
MCULE-5342138170,
NE32964,
EN300-76622,
Z1157671373,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.224g/mol |
| Monoisotopic Mass | 151.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number