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Chemical ID: 6342686
Chemical ID:
6342686
Name [?]:
2,6-dimethyl-1-methylsulfonyl-piperidine
SMILES [?]:
CC1CCCC(N1S(=O)(=O)C)C
InChi [?]:
InChI=1/C8H17NO2S/c1-7-5-4-6-8(2)9(7)12(3,10)11/h7-8H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,11,4,3,5,2,6,7,9,10,8/E:(1,2)(5,6)(7,8)(10,11)/CRV:12.6/rA:12cCCCCCCNSOOCC/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;d8;s8;s6;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H17NO2S |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.93389 |
Area: | 324.299 |
Solvation: | -2.1736 |
Coulombic: | -4.77826 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 191.292 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.44 |
LogP (Chemaxon): | 0.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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