ChemDB: Chemical Search
Download
Chemical ID: 4040423
Chemical ID:
4040423
Name [?]:
4-(4-tert-butylphenyl)sulfonylmorpholine
SMILES [?]:
CC(C)(C)c1ccc(cc1)S(=O)(=O)N2CCOCC2
InChi [?]:
InChI=1/C14H21NO3S/c1-14(2,3)12-4-6-13(7-5-12)19(16,17)15-8-10-18-11-9-15/h4-7H,8-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,6,10,7,9,15,19,16,18,5,8,2,14,12,13,17,11/E:(1,2,3)(4,5)(6,7)(8,9)(10,11)(16,17)/CRV:19.6/rA:19nCCCCCCCCCCSOONCCOCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;d11;s11;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO3S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.6172 |
Area: | 459.588 |
Solvation: | -2.8725 |
Coulombic: | -17.1144 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 283.387 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.53 |
LogP (Chemaxon): | 2.46 |
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 |
---|