Chemical ID: 4955177

CCN(CC)S(=O)(=O)N1CCN(CC1)S(=O)(=O)N(CC)CC
Chemical ID:
4955177
Name [?]:
N,N-diethyl-N',N'-dipiperazin-5-yl-piperazine-1,4-disulfonamide
SMILES [?]:
CCN(CC)S(=O)(=O)N1CCN(CC1)S(=O)(=O)N(CC)CC
InChi [?]:
InChI=1/C12H28N4O4S2/c1-5-13(6-2)21(17,18)15-9-11-16(12-10-15)22(19,20)14(7-3)8-4/h5-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,20,22,2,4,19,21,10,14,11,13,3,18,9,12,7,8,16,17,6,15/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18,19,20)(21,22)/CRV:21.6,22.6/rA:22nCCNCCSOONCCNCCSOONCCCC/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;s10;s11;s12;s9s13;s12;d15;d15;s15;s18;s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H28N4O4S2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.209
Area:526.684
Solvation:-2.95814
Coulombic:-18.9348
Bond Count [?]
All:22
Single:18
Double:4
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:356.507
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:-0.28
LogP (Chemaxon):-0.5

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