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Chemical ID: 7087161
Chemical ID:
7087161
Name [?]:
tert-butyl 4-(aminomethyl)thiazolidine-3-carboxylate
SMILES [?]:
CC(C)(C)OC(=O)N1CSCC1CN
InChi [?]:
InChI=1/C9H18N2O2S/c1-9(2,3)13-8(12)11-6-14-5-7(11)4-10/h7H,4-6,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,13,11,9,12,6,2,14,8,7,5,10/E:(1,2,3)/rA:14cCCCCOCONCSCCCN/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s8s11;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H18N2O2S |
All Atoms: | 32 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.57298 |
Area: | 379.256 |
Solvation: | -1.90842 |
Coulombic: | -41.4243 |
Bond Count [?]
All: | 14 |
Single: | 13 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 218.318 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.99 |
LogP (Chemaxon): | 0.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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