Chemical ID: 7133230

CCS(=O)(=O)N1CCC(CC1)[NH+]2CC(CC(C2)C)C
Chemical ID:
7133230
Name [?]:
4-(3,5-dimethyl-3,4,5,6-tetrahydro-2H-pyridin-1-yl)-1-ethylsulfonyl-piperidine
SMILES [?]:
CCS(=O)(=O)N1CCC(CC1)[NH+]2CC(CC(C2)C)C
InChi [?]:
InChI=1/C14H28N2O2S/c1-4-19(17,18)16-7-5-14(6-8-16)15-10-12(2)9-13(3)11-15/h12-14H,4-11H2,1-3H3/p+1
InChi Info:
AuxInfo=1/1/N:1,18,19,2,8,10,7,11,15,17,13,16,14,9,12,6,4,5,3/E:(2,3)(5,6)(7,8)(10,11)(12,13)(17,18)/CRV:19.6/rA:19cCCSOONCCCCCN+CCCCCCC/rB:s1;s2;d3;d3;s3;s6;s7;s8;s9;s6s10;s9;s12;s13;s14;s15;s12s16;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H29N2O2S+
All Atoms:48
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:-18.5303
Area:475.35
Solvation:-30.4141
Coulombic:23.3705
Bond Count [?]
All:20
Single:18
Double:2
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:289.458
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.87
LogP (Chemaxon):1.09

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