Chemical ID: 4120727

CS(=O)(=O)c1ccc(c(c1)N)N2CCCCC2
Chemical ID:
4120727
Name [?]:
5-methylsulfonyl-2-(1-piperidyl)aniline
SMILES [?]:
CS(=O)(=O)c1ccc(c(c1)N)N2CCCCC2
InChi [?]:
InChI=1/C12H18N2O2S/c1-17(15,16)10-5-6-12(11(13)9-10)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,6,7,13,17,10,5,9,8,11,12,3,4,2/E:(3,4)(7,8)(15,16)/CRV:17.6/rA:17nCSOOCCCCCCNNCCCCC/rB:s1;d2;d2;s2;s5;d6;s7;d8;d5s9;s9;s8;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18N2O2S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.55993
Area:423.472
Solvation:-3.02687
Coulombic:-24.8167
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:1.8
LogP (Chemaxon):1.02

Name Annotations

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Descriptor Annotations

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