Chemical ID: 6734927

COc1ccc(cc1)S(=O)(=O)N2CCC(CC2)[NH+]3CCCCC3
Chemical ID:
6734927
Name [?]:
1-(4-methoxyphenyl)sulfonyl-4-(3,4,5,6-tetrahydro-2H-pyridin-1-yl)piperidine
SMILES [?]:
COc1ccc(cc1)S(=O)(=O)N2CCC(CC2)[NH+]3CCCCC3
InChi [?]:
InChI=1/C17H26N2O3S/c1-22-16-5-7-17(8-6-16)23(20,21)19-13-9-15(10-14-19)18-11-3-2-4-12-18/h5-8,15H,2-4,9-14H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,21,20,22,4,8,5,7,14,16,19,23,13,17,15,3,6,18,12,10,11,2,9/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(20,21)/CRV:23.6/rA:23nCOCCCCCCSOONCCCCCN+CCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;s14;s15;s12s16;s15;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H27N2O3S+
All Atoms:50
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-19.4338
Area:526.392
Solvation:-32.5937
Coulombic:15.3093
Bond Count [?]
All:25
Single:20
Double:5
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:339.474
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.29
LogP (Chemaxon):1.62

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