chempirical

Biotin-PEG1-NH2

C14H26N4O3SCAS 811442-85-0330.45 g/mol

Open in Covalent MOL file
H2NONHOSNHOHN
EtherPrimary amineSulfide

Properties

Molecular formula
C14H26N4O3S
Molar mass
330.45 g/mol
Exact mass
330.1726 Da
logP
0.85Crippen estimate
Polar surface area
112.5 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
10
Stereocentres
S, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
811442-85-0
SMILES
NCCOCCN=C(O)CCCC[C@@H]1SC[C@@H]2N=C(O)N[C@@H]21
InChIKey
MJCKXPHJERSYIX-GVXVVHGQSA-N
InChI
InChI=1S/C14H26N4O3S/c15-5-7-21-8-6-16-12(19)4-2-1-3-11-13-10(9-22-11)17-14(20)18-13/h10-11,13H,1-9,15H2,(H,16,19)(H2,17,18,20)/t10-,11-,13-/m0/s1

Weigh it out

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Names and synonyms

2 names
  • (3As,4S,6ar)-N-[2-(2-aminoethoxy)ethyl]hexahydro-2-oxo-1H-thieno[3,4-D]imidazole-4-pentanamide
  • 1H-Thieno[3,4-d]imidazole-4-pentanamide, N-[2-(2-aminoethoxy)ethyl]hexahydro-2-oxo-, (3aS,4S,6aR)-

Work with Biotin-PEG1-NH2

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Biotin peg2 amine138529-46-198 % similar Biotinamidocaproyl hydrazide109276-34-867 % similar Biocytin576-19-265 % similar Biotin hydrazide66640-86-664 % similar 6-[5-(2-Oxo-hexahydro-thieno[3,4-D]imidazol-4-yl)-pentanoylamino]-hexanoic acid72040-64-363 % similar NHS-LC-Biotin72040-63-262 % similar Biotin22879-79-454 % similar Biotin58-85-554 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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