Chemical ID: 4232724

CCCS(=O)(=O)N1CCN(CC1)Cc2ccsc2
Chemical ID:
4232724
Name [?]:
1-propylsulfonyl-4-(3-thienylmethyl)piperazine
SMILES [?]:
CCCS(=O)(=O)N1CCN(CC1)Cc2ccsc2
InChi [?]:
InChI=1/C12H20N2O2S2/c1-2-9-18(15,16)14-6-4-13(5-7-14)10-12-3-8-17-11-12/h3,8,11H,2,4-7,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,9,11,8,12,16,3,13,18,14,10,7,5,6,17,4/E:(4,5)(6,7)(15,16)/CRV:18.6/rA:18nCCCSOONCCNCCCCCCSC/rB:s1;s2;s3;d4;d4;s4;s7;s8;s9;s10;s7s11;s10;s13;s14;d15;s16;d14s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H20N2O2S2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.91553
Area:472.61
Solvation:-2.89973
Coulombic:-11.0455
Bond Count [?]
All:19
Single:15
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:288.431
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.08
LogP (Chemaxon):1.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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