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Chemical ID: 5811268
Chemical ID:
5811268
Name [?]:
N-(1-ethyl-1-methyl-prop-2-ynyl)-2-(2-thienyl)acetamide
SMILES [?]:
CCC(C)(C#C)NC(=O)Cc1cccs1
InChi [?]:
InChI=1/C12H15NOS/c1-4-12(3,5-2)13-11(14)9-10-7-6-8-15-10/h1,6-8H,5,9H2,2-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:6,1,4,5,2,13,12,14,10,11,8,3,7,9,15/rA:15cCCCCCCNCOCCCCCS/rB:s1;s2;s3;s3;t5;s3;s7;d8;s8;s10;d11;s12;d13;s11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15NOS |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.21567 |
Area: | 413.659 |
Solvation: | -2.12581 |
Coulombic: | -23.7684 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 221.32 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.56 |
LogP (Chemaxon): | 1.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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