N-(16-OXOAZACYCLOHEXADECAN-5-YL)METHANESULFONAMIDE

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Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key MZUBTJHQFRHDGR-UHFFFAOYSA-N
Smiles CS(=O)(=O)NC1CCCCCCCCCCC(=O)NCCC1
InChI
InChI=1S/C16H32N2O3S/c1-22(20,21)18-15-11-8-6-4-2-3-5-7-9-13-16(19)17-14-10-12-15/h15,18H,2-14H2,1H3,(H,17,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H32N2O3S
Molecular Weight 332.5
AlogP 2.93
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 83.65
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 22.0

Cross References

Resources Reference
ChEMBL CHEMBL2228413
PubChem 25023567
CONTENTS