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Chemical ID: 6350940
Chemical ID:
6350940
Name [?]:
1-ethylsulfonyl-3-methyl-piperidine
SMILES [?]:
CCS(=O)(=O)N1CCCC(C1)C
InChi [?]:
InChI=1/C8H17NO2S/c1-3-12(10,11)9-6-4-5-8(2)7-9/h8H,3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,8,9,7,11,10,6,4,5,3/E:(10,11)/CRV:12.6/rA:12cCCSOONCCCCCC/rB:s1;s2;d3;d3;s3;s6;s7;s8;s9;s6s10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H17NO2S |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.53609 |
Area: | 346.875 |
Solvation: | -2.13578 |
Coulombic: | -5.43351 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 191.292 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.18 |
LogP (Chemaxon): | 0.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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