Chemical ID: 3880685

CCC1CCCCN1S(=O)(=O)c2ccc(cc2)S(=O)(=O)N3CCCCC3
Chemical ID:
3880685
Name [?]:
2-ethyl-1-[4-(1-piperidylsulfonyl)phenyl]sulfonyl-piperidine
SMILES [?]:
CCC1CCCCN1S(=O)(=O)c2ccc(cc2)S(=O)(=O)N3CCCCC3
InChi [?]:
InChI=1/C18H28N2O4S2/c1-2-16-8-4-7-15-20(16)26(23,24)18-11-9-17(10-12-18)25(21,22)19-13-5-3-6-14-19/h9-12,16H,2-8,13-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,24,5,23,25,6,4,14,16,13,17,22,26,7,3,15,12,21,8,19,20,10,11,18,9/E:(5,6)(9,10)(11,12)(13,14)(21,22)(23,24)/CRV:25.6,26.6/rA:26cCCCCCCCNSOOCCCCCCSOONCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;d18;d18;s18;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H28N2O4S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:11.2976
Area:570.156
Solvation:-2.95627
Coulombic:-15.2426
Bond Count [?]
All:28
Single:21
Double:7
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:400.558
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.74
LogP (Chemaxon):2.62

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue