Chemical ID: 6365986

CC(C)CC(=O)NCc1cccs1
Chemical ID:
6365986
Name [?]:
3-methyl-N-(2-thienylmethyl)butanamide
SMILES [?]:
CC(C)CC(=O)NCc1cccs1
InChi [?]:
InChI=1/C10H15NOS/c1-8(2)6-10(12)11-7-9-4-3-5-13-9/h3-5,8H,6-7H2,1-2H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,3,11,10,12,4,8,2,9,5,7,6,13/E:(1,2)/rA:13nCCCCCONCCCCCS/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;s9s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H15NOS
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:8.02423
Area:390.839
Solvation:-1.74676
Coulombic:-22.0085
Bond Count [?]
All:13
Single:10
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:197.298
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.81
LogP (Chemaxon):1.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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