Chemical ID: 7245645

CCS(=O)(=O)N1CCC(CC1)C(=O)O
Chemical ID:
7245645
Name [?]:
1-ethylsulfonylpiperidine-4-carboxylic acid
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)
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:C8H15NO4S
All Atoms:29
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.93866
Area:377.023
Solvation:-3.48692
Coulombic:-30.0351
Bond Count [?]
All:14
Single:11
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:221.275
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:-0.07
LogP (Chemaxon):-0.36

Name Annotations

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Descriptor Annotations

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