[(1R)-1-amino-2-methylsulfanylethyl] acetate

C5H11NO2S — CID 174338893

IUPAC[(1R)-1-amino-2-methylsulfanylethyl] acetate
SMILESCSC[C@H](N)OC(C)=O
InChIInChI=1S/C5H11NO2S/c1-4(7)8-5(6)3-9-2/h5H,3,6H2,1-2H3/t5-/m1/s1
InChIKeyFVODEQWLNDTXBV-RXMQYKEDSA-N
MW149.22 g/mol
LogP0.20
Rot. Bonds3

About [(1R)-1-amino-2-methylsulfanylethyl] acetate

[(1R)-1-amino-2-methylsulfanylethyl] acetate (PubChem CID 174338893) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is [(1R)-1-amino-2-methylsulfanylethyl] acetate.

Molecular Properties

Compound Name[(1R)-1-amino-2-methylsulfanylethyl] acetate
PubChem CID174338893
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name[(1R)-1-amino-2-methylsulfanylethyl] acetate
SMILESCSC[C@H](N)OC(C)=O
InChIInChI=1S/C5H11NO2S/c1-4(7)8-5(6)3-9-2/h5H,3,6H2,1-2H3/t5-/m1/s1
InChIKeyFVODEQWLNDTXBV-RXMQYKEDSA-N
XLogP0.20
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [(1R)-1-amino-2-methylsulfanylethyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-aminobutyl acetate
CID 22643639
3-amino-4-methylsulfanylbutan-2-one
CID 20644498
ethyl acetate;methylsulfanylethane
CID 90948635
(1-amino-4-fluoro-4-methylpentyl) acetate
CID 118005606
copper;1,6-diaminohexyl acetate
CID 88783047
[(2R)-4-methylsulfanyl-4-oxobutan-2-yl] acetate
CID 102040345
(2-acetyloxy-1,2-dichloroethyl) acetate
CID 536148
methyl (2R)-2-amino-3-methylsulfanylpropanoate;hydrochloride
CID 2763147
1-silylpropyl acetate
CID 173180610
1-acetyloxyethyl 2-amino-4-methylpentanoate
CID 87922143
(1-ethylsulfanyl-2-oxopropyl) acetate
CID 131862617
[2-methylsulfanyl-1-(2,3,4,5,6-pentafluorophenyl)ethyl] acetate
CID 23268160

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-amino-2-methylsulfanylethyl] acetate?
The IUPAC name of [(1R)-1-amino-2-methylsulfanylethyl] acetate (CID 174338893) is [(1R)-1-amino-2-methylsulfanylethyl] acetate.
What is the SMILES notation for [(1R)-1-amino-2-methylsulfanylethyl] acetate?
The canonical SMILES for [(1R)-1-amino-2-methylsulfanylethyl] acetate is CSC[C@H](N)OC(C)=O.
What is the InChIKey of [(1R)-1-amino-2-methylsulfanylethyl] acetate?
The InChIKey is FVODEQWLNDTXBV-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-4(7)8-5(6)3-9-2/h5H,3,6H2,1-2H3/t5-/m1/s1.
What are the key properties of [(1R)-1-amino-2-methylsulfanylethyl] acetate?
[(1R)-1-amino-2-methylsulfanylethyl] acetate has a molecular weight of 149.22 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-amino-2-methylsulfanylethyl] acetate is sourced from PubChem (CID 174338893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).