Chemical ID: 4401198

CN(C1CCS(=O)(=O)C1)C(=O)c2ccncc2
Chemical ID:
4401198
Name [?]:
N-(1,1-dioxothiolan-3-yl)-N-methyl-pyridine-4-carboxamide
SMILES [?]:
CN(C1CCS(=O)(=O)C1)C(=O)c2ccncc2
InChi [?]:
InChI=1/C11H14N2O3S/c1-13(10-4-7-17(15,16)8-10)11(14)9-2-5-12-6-3-9/h2-3,5-6,10H,4,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,17,4,14,16,5,9,12,3,10,15,2,11,7,8,6/E:(2,3)(5,6)(15,16)/CRV:17.6/rA:17cCNCCCSOOCCOCCCNCC/rB:s1;s2;s3;s4;s5;d6;d6;s3s6;s2;d10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14N2O3S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:6.04944
Area:420.06
Solvation:-4.45207
Coulombic:-21.5878
Bond Count [?]
All:18
Single:12
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:254.307
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.25
LogP (Chemaxon):-1.34

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Descriptor Annotations

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