Chemical ID: 4016208

CC(C)c1ccc(cc1)S(=O)(=O)N2CCOCC2
Chemical ID:
4016208
Name [?]:
4-(4-isopropylphenyl)sulfonylmorpholine
SMILES [?]:
CC(C)c1ccc(cc1)S(=O)(=O)N2CCOCC2
InChi [?]:
InChI=1/C13H19NO3S/c1-11(2)12-3-5-13(6-4-12)18(15,16)14-7-9-17-10-8-14/h3-6,11H,7-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,5,9,6,8,14,18,15,17,2,4,7,13,11,12,16,10/E:(1,2)(3,4)(5,6)(7,8)(9,10)(15,16)/CRV:18.6/rA:18nCCCCCCCCCSOONCCOCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;d10;s10;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO3S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.23715
Area:444.438
Solvation:-2.8738
Coulombic:-16.8834
Bond Count [?]
All:19
Single:14
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:269.361
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.12
LogP (Chemaxon):2.02

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Descriptor Annotations

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