Chemical ID: 6728375

CCS(=O)(=O)N1CCC(CC1)C(=O)[O-]
Chemical ID:
6728375
Name [?]:
1-ethylsulfonylpiperidine-4-carboxylate
SMILES [?]:
CCS(=O)(=O)N1CCC(CC1)C(=O)[O-]
InChi [?]:
InChI=1/C8H15NO4S/c1-2-14(12,13)9-5-3-7(4-6-9)8(10)11/h7H,2-6H2,1H3,(H,10,11)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,8,10,7,11,9,12,6,13,14,4,5,3/E:(3,4)(5,6)(10,11)(12,13)/CRV:14.6/rA:14nCCSOONCCCCCCOO-/rB:s1;s2;d3;d3;s3;s6;s7;s8;s9;s6s10;s9;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H14NO4S-
All Atoms:28
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-35.4577
Area:376.044
Solvation:-44.8588
Coulombic:-2.2078
Bond Count [?]
All:14
Single:11
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:220.267
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:-0.55
LogP (Chemaxon):-0.36

Name Annotations

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Descriptor Annotations

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