Chemical ID: 4041166

Cc1cccc(c1)S(=O)(=O)N2CC(OC(C2)C)C
Chemical ID:
4041166
Name [?]:
2,6-dimethyl-4-(m-tolylsulfonyl)morpholine
SMILES [?]:
Cc1cccc(c1)S(=O)(=O)N2CC(OC(C2)C)C
InChi [?]:
InChI=1/C13H19NO3S/c1-10-5-4-6-13(7-10)18(15,16)14-8-11(2)17-12(3)9-14/h4-7,11-12H,8-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,18,4,3,5,7,16,12,2,15,13,6,11,9,10,14,8/E:(2,3)(8,9)(11,12)(15,16)/CRV:18.6/rA:18cCCCCCCCSOONCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;s13;s14;s11s15;s15;s13;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO3S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:8.50702
Area:446.155
Solvation:-2.64686
Coulombic:-16.8532
Bond Count [?]
All:19
Single:14
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:269.361
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.07
LogP (Chemaxon):2.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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