Chemical ID: 6694359

CC1CCN(CC1)CCC2CCCN2S(=O)(=O)c3cccc(c3)O
Chemical ID:
6694359
Name [?]:
3-[2-[2-(4-methyl-1-piperidyl)ethyl]pyrrolidin-1-yl]sulfonylphenol
SMILES [?]:
CC1CCN(CC1)CCC2CCCN2S(=O)(=O)c3cccc(c3)O
InChi [?]:
InChI=1/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,12,11,21,19,3,7,9,13,4,6,8,23,2,10,22,18,5,14,24,16,17,15/E:(7,8)(11,12)(22,23)/CRV:24.6/rA:24cCCCCNCCCCCCCCNSOOCCCCCCO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s12;s10s13;s14;d15;d15;s15;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H28N2O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:10.5762
Area:555.125
Solvation:-3.30189
Coulombic:-28.5811
Bond Count [?]
All:26
Single:21
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:352.493
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.83
LogP (Chemaxon):0.47

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Descriptor Annotations

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