N-[3-(1,3-Dioxan-2-yl)-1-(3-pyridinyl)propyl]-2-methyl-2-propanesulfinamide - CAS 1797132-35-4
Catalog: |
BB055904 |
Product Name: |
N-[3-(1,3-Dioxan-2-yl)-1-(3-pyridinyl)propyl]-2-methyl-2-propanesulfinamide |
CAS: |
1797132-35-4 |
Synonyms: |
N-(3-(1,3-Dioxan-2-yl)-1-(pyridin-3-yl)propyl)-2-methylpropane-2-sulfinamide |
IUPAC Name: | N-[3-(1,3-dioxan-2-yl)-1-pyridin-3-ylpropyl]-2-methylpropane-2-sulfinamide |
Description: | Intermediate in the preparation of (+/-)-Iso Myosmine (I821350). |
Molecular Weight: | 326.45 |
Molecular Formula: | C16H26N2O3S |
Canonical SMILES: | CC(C)(C)S(=O)NC(CCC1OCCCO1)C2=CN=CC=C2 |
InChI: | InChI=1S/C16H26N2O3S/c1-16(2,3)22(19)18-14(13-6-4-9-17-12-13)7-8-15-20-10-5-11-21-15/h4,6,9,12,14-15,18H,5,7-8,10-11H2,1-3H3 |
InChI Key: | JXFCWQWDPIZDET-UHFFFAOYSA-N |
Solubility: | Chloroform, Dichloromethane, Ethanol, Ethyl Acetate, Methanol, Pyridine, Tetrahy |
Appearance: | White Solid |
Storage: | Refrigerator |
Complexity: | 354 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 326.16641387 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 326.16641387 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 79.7Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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