ChemDB: Chemical Search
Download
Chemical ID: 7244287
Chemical ID:
7244287
Name [?]:
N-[(4-methoxyphenyl)methyl]-1,1-dioxo-thiolan-3-amine
SMILES [?]:
COc1ccc(cc1)CNC2CCS(=O)(=O)C2
InChi [?]:
InChI=1/C12H17NO3S/c1-16-12-4-2-10(3-5-12)8-13-11-6-7-17(14,15)9-11/h2-5,11,13H,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,4,8,12,13,9,17,6,11,3,10,15,16,2,14/E:(2,3)(4,5)(14,15)/CRV:17.6/rA:17cCOCCCCCCCNCCCSOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;d14;d14;s11s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO3S |
All Atoms: | 34 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.40048 |
Area: | 442.098 |
Solvation: | -4.65198 |
Coulombic: | -17.1952 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 255.334 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.38 |
LogP (Chemaxon): | 0.1 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|