ethyl (2S)-2-(methylamino)-2-thiophen-3-ylacetate

C9H13NO2S — CID 134938772

IUPACethyl (2S)-2-(methylamino)-2-thiophen-3-ylacetate
SMILESCCOC(=O)[C@@H](NC)c1ccsc1
InChIInChI=1S/C9H13NO2S/c1-3-12-9(11)8(10-2)7-4-5-13-6-7/h4-6,8,10H,3H2,1-2H3/t8-/m0/s1
InChIKeyQHWCEVHZAZKENK-QMMMGPOBSA-N
MW199.27 g/mol
LogP1.57
Rot. Bonds4

About ethyl (2S)-2-(methylamino)-2-thiophen-3-ylacetate

ethyl (2S)-2-(methylamino)-2-thiophen-3-ylacetate (PubChem CID 134938772) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is ethyl (2S)-2-(methylamino)-2-thiophen-3-ylacetate.

Molecular Properties

Compound Nameethyl (2S)-2-(methylamino)-2-thiophen-3-ylacetate
PubChem CID134938772
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Nameethyl (2S)-2-(methylamino)-2-thiophen-3-ylacetate
SMILESCCOC(=O)[C@@H](NC)c1ccsc1
InChIInChI=1S/C9H13NO2S/c1-3-12-9(11)8(10-2)7-4-5-13-6-7/h4-6,8,10H,3H2,1-2H3/t8-/m0/s1
InChIKeyQHWCEVHZAZKENK-QMMMGPOBSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(methylamino)-2-thiophen-3-ylacetate?
The IUPAC name of ethyl (2S)-2-(methylamino)-2-thiophen-3-ylacetate (CID 134938772) is ethyl (2S)-2-(methylamino)-2-thiophen-3-ylacetate.
What is the SMILES notation for ethyl (2S)-2-(methylamino)-2-thiophen-3-ylacetate?
The canonical SMILES for ethyl (2S)-2-(methylamino)-2-thiophen-3-ylacetate is CCOC(=O)[C@@H](NC)c1ccsc1.
What is the InChIKey of ethyl (2S)-2-(methylamino)-2-thiophen-3-ylacetate?
The InChIKey is QHWCEVHZAZKENK-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-3-12-9(11)8(10-2)7-4-5-13-6-7/h4-6,8,10H,3H2,1-2H3/t8-/m0/s1.
What are the key properties of ethyl (2S)-2-(methylamino)-2-thiophen-3-ylacetate?
ethyl (2S)-2-(methylamino)-2-thiophen-3-ylacetate has a molecular weight of 199.27 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(methylamino)-2-thiophen-3-ylacetate is sourced from PubChem (CID 134938772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).