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Chemical ID: 3999083
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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Experimental Annotations
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Descriptor Annotations
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