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Chemical ID: 6336076
Chemical ID:
6336076
Name [?]:
2,6-dimethyl-1-(p-tolylsulfonyl)piperidine
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)N2C(CCCC2C)C
InChi [?]:
InChI=1/C14H21NO2S/c1-11-7-9-14(10-8-11)18(16,17)15-12(2)5-4-6-13(15)3/h7-10,12-13H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,18,14,15,13,3,7,4,6,2,16,12,5,11,9,10,8/E:(2,3)(5,6)(7,8)(9,10)(12,13)(16,17)/CRV:18.6/rA:18cCCCCCCCSOONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;s14;s11s15;s16;s12;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.95534 |
Area: | 419.448 |
Solvation: | -1.53085 |
Coulombic: | -9.16277 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 267.388 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.33 |
LogP (Chemaxon): | 3.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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