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Chemical ID: 5815645
Chemical ID:
5815645
Name [?]:
1-[(2-chlorophenyl)methylsulfonyl]-4-methyl-piperidine
SMILES [?]:
CC1CCN(CC1)S(=O)(=O)Cc2ccccc2Cl
InChi [?]:
InChI=1/C13H18ClNO2S/c1-11-6-8-15(9-7-11)18(16,17)10-12-4-2-3-5-13(12)14/h2-5,11H,6-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,16,3,7,4,6,11,2,12,17,18,5,9,10,8/E:(6,7)(8,9)(16,17)/CRV:18.6/rA:18nCCCCNCCSOOCCCCCCCCl/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18ClNO2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.62521 |
Area: | 444.181 |
Solvation: | -2.47931 |
Coulombic: | -7.38755 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 287.806 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.1 |
LogP (Chemaxon): | 2.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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