Chemical ID: 6670555

c1cc(cnc1)S(=O)(=O)N2CCOCC2
Chemical ID:
6670555
Name [?]:
4-(3-pyridylsulfonyl)morpholine
SMILES [?]:
c1cc(cnc1)S(=O)(=O)N2CCOCC2
InChi [?]:
InChI=1/C9H12N2O3S/c12-15(13,9-2-1-3-10-8-9)11-4-6-14-7-5-11/h1-3,8H,4-7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,15,12,14,4,3,5,10,8,9,13,7/E:(4,5)(6,7)(12,13)/CRV:15.6/rA:15nCCCCNCSOONCCOCC/rB:s1;d2;s3;d4;d1s5;s3;d7;d7;s7;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12N2O3S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.03476
Area:375.794
Solvation:-3.3601
Coulombic:-19.5191
Bond Count [?]
All:16
Single:11
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:228.269
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:-0.54
LogP (Chemaxon):-0.48

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Descriptor Annotations

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