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Chemical ID: 7244631
Chemical ID:
7244631
Name [?]:
5-(2-aminoethyl)thiophene-2-sulfonamide
SMILES [?]:
c1cc(sc1CCN)S(=O)(=O)N
InChi [?]:
InChI=1/C6H10N2O2S2/c7-4-3-5-1-2-6(11-5)12(8,9)10/h1-2H,3-4,7H2,(H2,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,6,7,5,3,8,12,10,11,4,9/E:(9,10)/CRV:12.6/rA:12nCCCSCCCNSOON/rB:s1;d2;s3;d1s4;s5;s6;s7;s3;d9;d9;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H10N2O2S2 |
All Atoms: | 22 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.81145 |
Area: | 367.096 |
Solvation: | -2.36596 |
Coulombic: | -28.4839 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 206.288 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | -1.55 |
LogP (Chemaxon): | -1.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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