Chemical ID: 7465251

C1CCN(C1)C(=O)CC(=S)N
Chemical ID:
7465251
Name [?]:
3-oxo-3-pyrrolidin-1-yl-propanethioamide
SMILES [?]:
C1CCN(C1)C(=O)CC(=S)N
InChi [?]:
InChI=1/C7H12N2OS/c8-6(11)5-7(10)9-3-1-2-4-9/h1-5H2,(H2,8,11)
InChi Info:
AuxInfo=1/1/N:1,2,5,3,8,9,6,11,4,7,10/E:(1,2)(3,4)/rA:11nCCCNCCOCCSN/rB:s1;s2;s3;s1s4;s4;d6;s6;s8;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H12N2OS
All Atoms:23
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.94424
Area:328.481
Solvation:-2.26779
Coulombic:-31.0317
Bond Count [?]
All:11
Single:9
Double:2
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:172.249
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:-0.6
LogP (Chemaxon):-0.49

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Descriptor Annotations

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