Chemical ID: 4040423

CC(C)(C)c1ccc(cc1)S(=O)(=O)N2CCOCC2
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

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Descriptor Annotations

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