Chemical ID: 5562932

CC1CN(CC(O1)C)CC(=O)Nc2ccccc2SC
Chemical ID:
5562932
Name [?]:
2-(2,6-dimethylmorpholin-4-yl)-N-(2-methylsulfanylphenyl)-acetamide
SMILES [?]:
CC1CN(CC(O1)C)CC(=O)Nc2ccccc2SC
InChi [?]:
InChI=1/C15H22N2O2S/c1-11-8-17(9-12(2)19-11)10-15(18)16-13-6-4-5-7-14(13)20-3/h4-7,11-12H,8-10H2,1-3H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,8,20,15,16,14,17,3,5,9,2,6,13,18,10,12,4,11,7,19/E:(1,2)(8,9)(11,12)/rA:20cCCCNCCOCCCONCCCCCCSC/rB:s1;s2;s3;s4;s5;s2s6;s6;s4;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22N2O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:8.45417
Area:498.21
Solvation:-4.00107
Coulombic:-34.486
Bond Count [?]
All:21
Single:17
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:294.413
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.06
LogP (Chemaxon):2.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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