Chemical ID: 7092479

CC1CCN(CC1)S(=O)(=O)c2ccccc2N
Chemical ID:
7092479
Name [?]:
2-[(4-methyl-1-piperidyl)sulfonyl]aniline
SMILES [?]:
CC1CCN(CC1)S(=O)(=O)c2ccccc2N
InChi [?]:
InChI=1/C12H18N2O2S/c1-10-6-8-14(9-7-10)17(15,16)12-5-3-2-4-11(12)13/h2-5,10H,6-9,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,3,7,4,6,2,16,11,17,5,9,10,8/E:(6,7)(8,9)(15,16)/CRV:17.6/rA:17nCCCCNCCSOOCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;d8;s8;s11;d12;s13;d14;d11s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18N2O2S
All Atoms:35
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.19809
Area:400.855
Solvation:-1.82328
Coulombic:-25.259
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:2.31
LogP (Chemaxon):2.09

Name Annotations

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Descriptor Annotations

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