Chemical ID: 7123803

c1ccc(cc1)CS(=O)(=O)N2CC[NH+](CC2)C3CCCCC3
Chemical ID:
7123803
Name [?]:
1-benzylsulfonyl-4-cyclohexyl-2,3,5,6-tetrahydropyrazine
SMILES [?]:
c1ccc(cc1)CS(=O)(=O)N2CC[NH+](CC2)C3CCCCC3
InChi [?]:
InChI=1/C17H26N2O2S/c20-22(21,15-16-7-3-1-4-8-16)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1,3-4,7-8,17H,2,5-6,9-15H2/p+1
InChi Info:
AuxInfo=1/1/N:1,20,2,6,19,21,3,5,18,22,13,15,12,16,7,4,17,14,11,9,10,8/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(20,21)/CRV:22.6/rA:22nCCCCCCCSOONCCN+CCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;d8;s8;s11;s12;s13;s14;s11s15;s14;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H27N2O2S+
All Atoms:49
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-19.0986
Area:514.65
Solvation:-31.9649
Coulombic:22.9851
Bond Count [?]
All:24
Single:19
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:323.475
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.57
LogP (Chemaxon):2.41

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