methyl 2-(methylamino)-2-thiophen-3-ylacetate

C8H11NO2S — CID 60787726

IUPACmethyl 2-(methylamino)-2-thiophen-3-ylacetate
SMILESCNC(C(=O)OC)c1ccsc1
InChIInChI=1S/C8H11NO2S/c1-9-7(8(10)11-2)6-3-4-12-5-6/h3-5,7,9H,1-2H3
InChIKeyFEPHXJQMNDBUHA-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.18
Rot. Bonds3

About methyl 2-(methylamino)-2-thiophen-3-ylacetate

methyl 2-(methylamino)-2-thiophen-3-ylacetate (PubChem CID 60787726) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is methyl 2-(methylamino)-2-thiophen-3-ylacetate.

Molecular Properties

Compound Namemethyl 2-(methylamino)-2-thiophen-3-ylacetate
PubChem CID60787726
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Namemethyl 2-(methylamino)-2-thiophen-3-ylacetate
SMILESCNC(C(=O)OC)c1ccsc1
InChIInChI=1S/C8H11NO2S/c1-9-7(8(10)11-2)6-3-4-12-5-6/h3-5,7,9H,1-2H3
InChIKeyFEPHXJQMNDBUHA-UHFFFAOYSA-N
XLogP1.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-methylpropylamino)-2-thiophen-3-ylacetate
CID 61002769
methyl 2-(cyclopropylamino)-2-thiophen-3-ylacetate
CID 60795530
methyl 3-amino-2-hydroxy-3-thiophen-3-ylpropanoate
CID 19756647
methyl (2S)-2-bromo-2-thiophen-3-ylacetate
CID 99645005
2-(methoxycarbonylamino)-2-thiophen-3-ylacetic acid
CID 59610805
methyl 3-amino-2-thiophen-3-ylpropanoate
CID 19756646
methyl (2R)-2-methyl-3-sulfanyl-3-thiophen-3-ylpropanoate
CID 59948768
ethyl 2-(ethylamino)-2-thiophen-3-ylacetate
CID 60785866
methyl 2-acetylsulfanyl-2-thiophen-3-ylacetate
CID 11138963
2-(methylamino)-1-piperazin-1-yl-2-thiophen-3-ylethanone
CID 82511218
methyl (3R)-3-amino-3-thiophen-3-ylpropanoate;hydrochloride
CID 171249952
methyl 2-bromo-3-(1-thiophen-3-ylethylamino)propanoate
CID 103249721

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylamino)-2-thiophen-3-ylacetate?
The IUPAC name of methyl 2-(methylamino)-2-thiophen-3-ylacetate (CID 60787726) is methyl 2-(methylamino)-2-thiophen-3-ylacetate.
What is the SMILES notation for methyl 2-(methylamino)-2-thiophen-3-ylacetate?
The canonical SMILES for methyl 2-(methylamino)-2-thiophen-3-ylacetate is CNC(C(=O)OC)c1ccsc1.
What is the InChIKey of methyl 2-(methylamino)-2-thiophen-3-ylacetate?
The InChIKey is FEPHXJQMNDBUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-9-7(8(10)11-2)6-3-4-12-5-6/h3-5,7,9H,1-2H3.
What are the key properties of methyl 2-(methylamino)-2-thiophen-3-ylacetate?
methyl 2-(methylamino)-2-thiophen-3-ylacetate has a molecular weight of 185.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)-2-thiophen-3-ylacetate is sourced from PubChem (CID 60787726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).