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Chemical ID: 3855099
Chemical ID:
3855099
Name [?]:
3-[(4-methyl-1-piperidyl)sulfonyl]aniline
SMILES [?]:
CC1CCN(CC1)S(=O)(=O)c2cccc(c2)N
InChi [?]:
InChI=1/C12H18N2O2S/c1-10-5-7-14(8-6-10)17(15,16)12-4-2-3-11(13)9-12/h2-4,9-10H,5-8,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,12,3,7,4,6,16,2,15,11,17,5,9,10,8/E:(5,6)(7,8)(15,16)/CRV:17.6/rA:17nCCCCNCCSOOCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;d8;s8;s11;d12;s13;d14;d11s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2O2S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.48275 |
Area: | 415.506 |
Solvation: | -1.9049 |
Coulombic: | -24.4913 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 254.35 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.67 |
LogP (Chemaxon): | 1.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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