Chemical ID: 4725133

CCC1CCCCN1S(=O)(=O)c2ccccc2N
Chemical ID:
4725133
Name [?]:
2-[(2-ethyl-1-piperidyl)sulfonyl]aniline
SMILES [?]:
CCC1CCCCN1S(=O)(=O)c2ccccc2N
InChi [?]:
InChI=1/C13H20N2O2S/c1-2-11-7-5-6-10-15(11)18(16,17)13-9-4-3-8-12(13)14/h3-4,8-9,11H,2,5-7,10,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,14,5,6,4,16,13,7,3,17,12,18,8,10,11,9/E:(16,17)/CRV:18.6/rA:18cCCCCCCCNSOOCCCCCCN/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20N2O2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:8.55201
Area:414.094
Solvation:-1.80034
Coulombic:-25.6422
Bond Count [?]
All:19
Single:14
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:268.376
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.62
LogP (Chemaxon):2.64

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