Chemical ID: 6200415

CN(CC(=O)O)S(=O)(=O)c1cccs1
Chemical ID:
6200415
Name [?]:
2-(methyl-(2-thienylsulfonyl)amino)acetic acid
SMILES [?]:
CN(CC(=O)O)S(=O)(=O)c1cccs1
InChi [?]:
InChI=1/C7H9NO4S2/c1-8(5-6(9)10)14(11,12)7-3-2-4-13-7/h2-4H,5H2,1H3,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,12,11,13,3,4,10,2,5,6,8,9,14,7/E:(9,10)(11,12)/CRV:14.6/rA:14cCNCCOOSOOCCCCS/rB:s1;s2;s3;d4;s4;s2;d7;d7;s7;d10;s11;d12;s10s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H9NO4S2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:5.94284
Area:381.093
Solvation:-3.58447
Coulombic:-33.4538
Bond Count [?]
All:14
Single:9
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:235.283
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:-0.45
LogP (Chemaxon):0.31

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Descriptor Annotations

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