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Chemical ID: 6200415
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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