Chemical ID: 5186916

CCS(=O)(=O)N(Cc1ccccc1)CC(=O)O
Chemical ID:
5186916
Name [?]:
2-(benzyl-ethylsulfonyl-amino)acetic acid
SMILES [?]:
CCS(=O)(=O)N(Cc1ccccc1)CC(=O)O
InChi [?]:
InChI=1/C11H15NO4S/c1-2-17(15,16)12(9-11(13)14)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,11,10,12,9,13,7,14,8,15,6,16,17,4,5,3/E:(4,5)(6,7)(13,14)(15,16)/CRV:17.6/rA:17cCCSOONCCCCCCCCCOO/rB:s1;s2;d3;d3;s3;s6;s7;s8;d9;s10;d11;d8s12;s6;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO4S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:7.31258
Area:419.76
Solvation:-3.18141
Coulombic:-33.3226
Bond Count [?]
All:17
Single:11
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:257.307
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.11
LogP (Chemaxon):0.9

Name Annotations

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Descriptor Annotations

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