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Chemical ID: 4272124
Chemical ID:
4272124
Name [?]:
3-(1-piperidylsulfonyl)thiolane 1,1-dioxide
SMILES [?]:
C1CCN(CC1)S(=O)(=O)C2CCS(=O)(=O)C2
InChi [?]:
InChI=1/C9H17NO4S2/c11-15(12)7-4-9(8-15)16(13,14)10-5-2-1-3-6-10/h9H,1-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,3,5,12,16,10,4,14,15,8,9,13,7/E:(2,3)(5,6)(11,12)(13,14)/CRV:15.6,16.6/rA:16cCCCNCCSOOCCCSOOC/rB:s1;s2;s3;s4;s1s5;s4;d7;d7;s7;s10;s11;s12;d13;d13;s10s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H17NO4S2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.98797 |
Area: | 406.395 |
Solvation: | -4.17189 |
Coulombic: | -5.11711 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 267.368 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 0.23 |
LogP (Chemaxon): | -1.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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