Chemical ID: 3855099

CC1CCN(CC1)S(=O)(=O)c2cccc(c2)N
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

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Descriptor Annotations

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