Chemical ID: 6149888

CCN1CCN(CC1)S(=O)(=O)c2ccccc2C#N
Chemical ID:
6149888
Name [?]:
2-(4-ethylpiperazin-1-yl)sulfonylbenzonitrile
SMILES [?]:
CCN1CCN(CC1)S(=O)(=O)c2ccccc2C#N
InChi [?]:
InChI=1/C13H17N3O2S/c1-2-15-7-9-16(10-8-15)19(17,18)13-6-4-3-5-12(13)11-14/h3-6H,2,7-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,14,16,13,4,8,5,7,18,17,12,19,3,6,10,11,9/E:(7,8)(9,10)(17,18)/CRV:19.6/rA:19nCCNCCNCCSOOCCCCCCCN/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;t18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17N3O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.20223
Area:432.575
Solvation:-2.61214
Coulombic:-15.6684
Bond Count [?]
All:20
Single:14
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:279.359
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.9
LogP (Chemaxon):1.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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