methyl 5-(diethylaminomethyl)thiophene-2-carboxylate

C11H17NO2S — CID 71563456

IUPACmethyl 5-(diethylaminomethyl)thiophene-2-carboxylate
SMILESCCN(CC)Cc1ccc(C(=O)OC)s1
InChIInChI=1S/C11H17NO2S/c1-4-12(5-2)8-9-6-7-10(15-9)11(13)14-3/h6-7H,4-5,8H2,1-3H3
InChIKeyJUOGKFDQONFDLM-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.38
Rot. Bonds5

About methyl 5-(diethylaminomethyl)thiophene-2-carboxylate

methyl 5-(diethylaminomethyl)thiophene-2-carboxylate (PubChem CID 71563456) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is methyl 5-(diethylaminomethyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(diethylaminomethyl)thiophene-2-carboxylate
PubChem CID71563456
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Namemethyl 5-(diethylaminomethyl)thiophene-2-carboxylate
SMILESCCN(CC)Cc1ccc(C(=O)OC)s1
InChIInChI=1S/C11H17NO2S/c1-4-12(5-2)8-9-6-7-10(15-9)11(13)14-3/h6-7H,4-5,8H2,1-3H3
InChIKeyJUOGKFDQONFDLM-UHFFFAOYSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[[butyl(methyl)amino]methyl]thiophene-2-carboxylate
CID 21086213
methyl 5-propylthiophene-2-carboxylate
CID 14933665
methyl 5-[[2-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carboxylate
CID 75425998
methyl 5-(2-hydroxyethyl)thiophene-2-carboxylate
CID 10845237
methyl 5-(3-bromopropyl)thiophene-2-carboxylate
CID 10777926
methyl 5-(2-sulfanylethyl)thiophene-2-carboxylate
CID 10512323
methyl 5-[[[4-(hydroxymethyl)cyclohexyl]-methylamino]methyl]thiophene-2-carboxylate
CID 75434428
methyl 5-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]thiophene-2-carboxylate
CID 47143664
methyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate
CID 4072395
5-[(dipropylamino)methyl]thiophene-2-carbohydrazide
CID 63570424
methyl 5-(4-oxobutyl)thiophene-2-carboxylate
CID 23339561
5-[[2-cyanopropyl(ethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63585748

Frequently Asked Questions

What is the IUPAC name of methyl 5-(diethylaminomethyl)thiophene-2-carboxylate?
The IUPAC name of methyl 5-(diethylaminomethyl)thiophene-2-carboxylate (CID 71563456) is methyl 5-(diethylaminomethyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(diethylaminomethyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 5-(diethylaminomethyl)thiophene-2-carboxylate is CCN(CC)Cc1ccc(C(=O)OC)s1.
What is the InChIKey of methyl 5-(diethylaminomethyl)thiophene-2-carboxylate?
The InChIKey is JUOGKFDQONFDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-4-12(5-2)8-9-6-7-10(15-9)11(13)14-3/h6-7H,4-5,8H2,1-3H3.
What are the key properties of methyl 5-(diethylaminomethyl)thiophene-2-carboxylate?
methyl 5-(diethylaminomethyl)thiophene-2-carboxylate has a molecular weight of 227.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(diethylaminomethyl)thiophene-2-carboxylate is sourced from PubChem (CID 71563456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).