Chemical ID: 6199673

Cc1c(c(n[nH]1)C)S(=O)(=O)N2CCCC(C2)C
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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Descriptor Annotations

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