Structure Database (LMSD)
Common Name
S-aminomethyldihydrolipoamide
Systematic Name
8-[(aminomethyl)sulfanyl]-6-sulfanyloctanamide
Synonyms
3D model of S-aminomethyldihydrolipoamide
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
KALYVIJGKPJBQV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H20N2OS2/c10-7-14-6-5-8(13)3-1-2-4-9(11)12/h8,13H,1-7,10H2,(H2,11,12)
SMILES (Click to copy)
C(CC(S)CCCCC(N)=O)SCN
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
229.43
Topological Polar Surface Area
69.11
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
1
logP
1.94
Molar Refractivity
67.57
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Created at
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Updated at
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