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Chemical ID: 6048640
Chemical ID:
6048640
Name [?]:
tert-butyl 3-methylsulfonyloxypyrrolidine-1-carboxylate
SMILES [?]:
CC(C)(C)OC(=O)N1CCC(C1)OS(=O)(=O)C
InChi [?]:
InChI=1/C10H19NO5S/c1-10(2,3)15-9(12)11-6-5-8(7-11)16-17(4,13)14/h8H,5-7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,17,10,9,12,11,6,2,8,7,15,16,5,13,14/E:(1,2,3)(13,14)/CRV:17.6/rA:17cCCCCOCONCCCCOSOOC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s8s11;s11;s13;d14;d14;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H19NO5S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.10184 |
Area: | 437.61 |
Solvation: | -3.83839 |
Coulombic: | -33.7387 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 265.328 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 0.91 |
LogP (Chemaxon): | 0.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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