Chemical ID: 4046478

CCOC(=O)C1CCCN(C1)S(=O)(=O)c2cccnc2
Chemical ID:
4046478
Name [?]:
ethyl 1-(3-pyridylsulfonyl)piperidine-3-carboxylate
SMILES [?]:
CCOC(=O)C1CCCN(C1)S(=O)(=O)c2cccnc2
InChi [?]:
InChI=1/C13H18N2O4S/c1-2-19-13(16)11-5-4-8-15(10-11)20(17,18)12-6-3-7-14-9-12/h3,6-7,9,11H,2,4-5,8,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,8,7,16,18,9,20,11,6,15,4,19,10,5,13,14,3,12/E:(17,18)/CRV:20.6/rA:20cCCOCOCCCCNCSOOCCCCNC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s10;d12;d12;s12;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18N2O4S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:8.67358
Area:477.288
Solvation:-3.25862
Coulombic:-29.7399
Bond Count [?]
All:21
Single:15
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:298.359
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.52
LogP (Chemaxon):0.43

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Descriptor Annotations

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