Chemical ID: 3999083

CN1CCC(CC1)N(C)S(=O)(=O)c2ccc(cc2)N
Chemical ID:
3999083
Name [?]:
4-amino-N-methyl-N-(1-methyl-4-piperidyl)-benzenesulfonamide
SMILES [?]:
CN1CCC(CC1)N(C)S(=O)(=O)c2ccc(cc2)N
InChi [?]:
InChI=1/C13H21N3O2S/c1-15-9-7-12(8-10-15)16(2)19(17,18)13-5-3-11(14)4-6-13/h3-6,12H,7-10,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,15,17,14,18,4,6,3,7,16,5,13,19,2,8,11,12,10/E:(3,4)(5,6)(7,8)(9,10)(17,18)/CRV:19.6/rA:19cCNCCCCCNCSOOCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s8;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21N3O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:8.99848
Area:457.774
Solvation:-2.44587
Coulombic:-28.5447
Bond Count [?]
All:20
Single:15
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:283.391
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.19
LogP (Chemaxon):0.37

Name Annotations

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Descriptor Annotations

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