Chemical ID: 5811268

CCC(C)(C#C)NC(=O)Cc1cccs1
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

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