methyl (2R)-2-(benzylamino)-2-thiophen-3-ylacetate

C14H15NO2S — CID 93406235

IUPACmethyl (2R)-2-(benzylamino)-2-thiophen-3-ylacetate
SMILESCOC(=O)[C@H](NCc1ccccc1)c1ccsc1
InChIInChI=1S/C14H15NO2S/c1-17-14(16)13(12-7-8-18-10-12)15-9-11-5-3-2-4-6-11/h2-8,10,13,15H,9H2,1H3/t13-/m1/s1
InChIKeyYRCRXQRIUMGBPM-CYBMUJFWSA-N
MW261.35 g/mol
LogP2.75
Rot. Bonds5

About methyl (2R)-2-(benzylamino)-2-thiophen-3-ylacetate

methyl (2R)-2-(benzylamino)-2-thiophen-3-ylacetate (PubChem CID 93406235) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is methyl (2R)-2-(benzylamino)-2-thiophen-3-ylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-(benzylamino)-2-thiophen-3-ylacetate
PubChem CID93406235
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Namemethyl (2R)-2-(benzylamino)-2-thiophen-3-ylacetate
SMILESCOC(=O)[C@H](NCc1ccccc1)c1ccsc1
InChIInChI=1S/C14H15NO2S/c1-17-14(16)13(12-7-8-18-10-12)15-9-11-5-3-2-4-6-11/h2-8,10,13,15H,9H2,1H3/t13-/m1/s1
InChIKeyYRCRXQRIUMGBPM-CYBMUJFWSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(benzylamino)-2-thiophen-3-ylacetate?
The IUPAC name of methyl (2R)-2-(benzylamino)-2-thiophen-3-ylacetate (CID 93406235) is methyl (2R)-2-(benzylamino)-2-thiophen-3-ylacetate.
What is the SMILES notation for methyl (2R)-2-(benzylamino)-2-thiophen-3-ylacetate?
The canonical SMILES for methyl (2R)-2-(benzylamino)-2-thiophen-3-ylacetate is COC(=O)[C@H](NCc1ccccc1)c1ccsc1.
What is the InChIKey of methyl (2R)-2-(benzylamino)-2-thiophen-3-ylacetate?
The InChIKey is YRCRXQRIUMGBPM-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-17-14(16)13(12-7-8-18-10-12)15-9-11-5-3-2-4-6-11/h2-8,10,13,15H,9H2,1H3/t13-/m1/s1.
What are the key properties of methyl (2R)-2-(benzylamino)-2-thiophen-3-ylacetate?
methyl (2R)-2-(benzylamino)-2-thiophen-3-ylacetate has a molecular weight of 261.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(benzylamino)-2-thiophen-3-ylacetate is sourced from PubChem (CID 93406235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).