| CAS Number | 1202975-17-4 |
| Catalog Number | AG01AQKB(AGN-PC-0WCOEJ) |
| Chemical Name | ([1-(Cyclopropylsulfonyl)piperidin-4-yl]methyl)amine |
| IUPAC Name | (1-cyclopropylsulfonylpiperidin-4-yl)methanamine |
| InChI | InChI=1S/C9H18N2O2S/c10-7-8-3-5-11(6-4-8)14(12,13)9-1-2-9/h8-9H,1-7,10H2 |
| InChI Key | KATOPRGNWLPHKM-UHFFFAOYSA-N |
| MDL Number | MFCD16653436 |
| Molecular Formula | C9H18N2O2S |
| Molecular Weight | 218.3164 |
| SMILES | NCC1CCN(S(C2CC2)(=O)=O)CC1 |
| Synonyms | {[1-(cyclopropylsulfonyl)piperidin-4-yl]methyl}amine,
1202975-17-4,
ZINC38478419,
AKOS013878959,
MCULE-1496392539,
[1-(cyclopropanesulfonyl)piperidin-4-yl]methanamine,
A1-06191,
F2190-0723,
N/A,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.315g/mol |
| Monoisotopic Mass | 218.109g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
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