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Chemical ID: 4016315
Chemical ID:
4016315
Name [?]:
8-(2,3,5,6-tetramethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILES [?]:
Cc1cc(c(c(c1C)S(=O)(=O)N2CCC3(CC2)OCCO3)C)C
InChi [?]:
InChI=1/C17H25NO4S/c1-12-11-13(2)15(4)16(14(12)3)23(19,20)18-7-5-17(6-8-18)21-9-10-22-17/h11H,5-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,23,8,22,14,16,13,17,19,20,3,2,4,7,5,6,15,12,10,11,18,21,9/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(14,15)(19,20)(21,22)/CRV:23.6/rA:23nCCCCCCCCSOONCCCCCOCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;d9;d9;s9;s12;s13;s14;s15;s12s16;s15;s18;s19;s15s20;s5;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H25NO4S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.00426 |
Area: | 495.577 |
Solvation: | -3.38518 |
Coulombic: | -24.7485 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 339.451 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.52 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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