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

C11H17NO2S — CID 61002769

IUPACmethyl 2-(2-methylpropylamino)-2-thiophen-3-ylacetate
SMILESCOC(=O)C(NCC(C)C)c1ccsc1
InChIInChI=1S/C11H17NO2S/c1-8(2)6-12-10(11(13)14-3)9-4-5-15-7-9/h4-5,7-8,10,12H,6H2,1-3H3
InChIKeyBCNJKLHFRXIUNQ-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.21
Rot. Bonds5

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

methyl 2-(2-methylpropylamino)-2-thiophen-3-ylacetate (PubChem CID 61002769) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is methyl 2-(2-methylpropylamino)-2-thiophen-3-ylacetate.

Molecular Properties

Compound Namemethyl 2-(2-methylpropylamino)-2-thiophen-3-ylacetate
PubChem CID61002769
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Namemethyl 2-(2-methylpropylamino)-2-thiophen-3-ylacetate
SMILESCOC(=O)C(NCC(C)C)c1ccsc1
InChIInChI=1S/C11H17NO2S/c1-8(2)6-12-10(11(13)14-3)9-4-5-15-7-9/h4-5,7-8,10,12H,6H2,1-3H3
InChIKeyBCNJKLHFRXIUNQ-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(methylamino)-2-thiophen-3-ylacetate
CID 60787726
ethyl 2-(ethylamino)-2-thiophen-3-ylacetate
CID 60785866
methyl 2-bromo-3-(1-thiophen-3-ylethylamino)propanoate
CID 103249721
methyl 2-(cyclopropylamino)-2-thiophen-3-ylacetate
CID 60795530
methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-methylbutanoate
CID 114188531
methyl 3-amino-2-thiophen-3-ylpropanoate
CID 19756646
methyl 2-(3-chlorophenyl)-2-(2-methylpropylamino)acetate
CID 54894670
methyl 4-methyl-2-(1-thiophen-3-ylethylamino)pentanoate
CID 62091746
methyl (2S)-2-bromo-2-thiophen-3-ylacetate
CID 99645005
methyl (2R)-2-methyl-3-sulfanyl-3-thiophen-3-ylpropanoate
CID 59948768
methyl 3-amino-2-hydroxy-3-thiophen-3-ylpropanoate
CID 19756647
methyl 2-(2-methylpropylamino)-2-(1-methylpyrazol-4-yl)acetate
CID 61002889

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylpropylamino)-2-thiophen-3-ylacetate?
The IUPAC name of methyl 2-(2-methylpropylamino)-2-thiophen-3-ylacetate (CID 61002769) is methyl 2-(2-methylpropylamino)-2-thiophen-3-ylacetate.
What is the SMILES notation for methyl 2-(2-methylpropylamino)-2-thiophen-3-ylacetate?
The canonical SMILES for methyl 2-(2-methylpropylamino)-2-thiophen-3-ylacetate is COC(=O)C(NCC(C)C)c1ccsc1.
What is the InChIKey of methyl 2-(2-methylpropylamino)-2-thiophen-3-ylacetate?
The InChIKey is BCNJKLHFRXIUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-8(2)6-12-10(11(13)14-3)9-4-5-15-7-9/h4-5,7-8,10,12H,6H2,1-3H3.
What are the key properties of methyl 2-(2-methylpropylamino)-2-thiophen-3-ylacetate?
methyl 2-(2-methylpropylamino)-2-thiophen-3-ylacetate has a molecular weight of 227.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylpropylamino)-2-thiophen-3-ylacetate is sourced from PubChem (CID 61002769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).