Chemical ID: 6048644

CC(C)(C)OC(=O)N1CCC(C1)C(=S)N
Chemical ID:
6048644
Name [?]:
tert-butyl 3-thiocarbamoylpyrrolidine-1-carboxylate
SMILES [?]:
CC(C)(C)OC(=O)N1CCC(C1)C(=S)N
InChi [?]:
InChI=1/C10H18N2O2S/c1-10(2,3)14-9(13)12-5-4-7(6-12)8(11)15/h7H,4-6H2,1-3H3,(H2,11,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,9,12,11,13,6,2,15,8,7,5,14/E:(1,2,3)/rA:15cCCCCOCONCCCCCSN/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s8s11;s11;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H18N2O2S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:8.66469
Area:411.68
Solvation:-1.62732
Coulombic:-46.1342
Bond Count [?]
All:15
Single:13
Double:2
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:230.328
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.72
LogP (Chemaxon):0.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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