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Chemical ID: 6199673
Chemical ID:
6199673
Name [?]:
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-methyl-piperidine
SMILES [?]:
Cc1c(c(n[nH]1)C)S(=O)(=O)N2CCCC(C2)C
InChi [?]:
InChI=1/C11H19N3O2S/c1-8-5-4-6-14(7-8)17(15,16)11-9(2)12-13-10(11)3/h8H,4-7H2,1-3H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:17,1,7,13,14,12,16,15,2,4,3,6,5,11,9,10,8/E:(2,3)(9,10)(12,13)(15,16)/CRV:17.6/rA:17cCCCCNNCSOONCCCCCC/rB:s1;d2;s3;d4;s2s5;s4;s3;d8;d8;s8;s11;s12;s13;s14;s11s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H19N3O2S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.18122 |
Area: | 408.763 |
Solvation: | -2.03784 |
Coulombic: | -16.6951 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 257.354 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.34 |
LogP (Chemaxon): | 0.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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