Chemical ID: 4040424

CCc1ccc(cc1)S(=O)(=O)N2CCOCC2
Chemical ID:
4040424
Name [?]:
4-(4-ethylphenyl)sulfonylmorpholine
SMILES [?]:
CCc1ccc(cc1)S(=O)(=O)N2CCOCC2
InChi [?]:
InChI=1/C12H17NO3S/c1-2-11-3-5-12(6-4-11)17(14,15)13-7-9-16-10-8-13/h3-6H,2,7-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,4,8,5,7,13,17,14,16,3,6,12,10,11,15,9/E:(3,4)(5,6)(7,8)(9,10)(14,15)/CRV:17.6/rA:17nCCCCCCCCSOONCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO3S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.77316
Area:425.326
Solvation:-2.86
Coulombic:-16.5905
Bond Count [?]
All:18
Single:13
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:255.334
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.61
LogP (Chemaxon):1.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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