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Chemical ID: 4401198
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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