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Chemical ID: 4232724
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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