Chemical ID: 4800878

CC1(CCS(=O)(=O)C1)NC(=O)c2ccccc2
Chemical ID:
4800878
Name [?]:
N-(3-methyl-1,1-dioxo-thiolan-3-yl)benzamide
SMILES [?]:
CC1(CCS(=O)(=O)C1)NC(=O)c2ccccc2
InChi [?]:
InChI=1/C12H15NO3S/c1-12(7-8-17(15,16)9-12)13-11(14)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,13,17,3,4,8,12,10,2,9,11,6,7,5/E:(3,4)(5,6)(15,16)/CRV:17.6/rA:17cCCCCSOOCNCOCCCCCC/rB:s1;s2;s3;s4;d5;d5;s2s5;s2;s9;d10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15NO3S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:7.05125
Area:418.455
Solvation:-3.41014
Coulombic:-24.0581
Bond Count [?]
All:18
Single:12
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:253.318
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.78
LogP (Chemaxon):-0.2

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Descriptor Annotations

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