methyl 3-[(5-ethylthiophen-2-yl)methyl-methylamino]propanoate

C12H19NO2S — CID 62010884

IUPACmethyl 3-[(5-ethylthiophen-2-yl)methyl-methylamino]propanoate
SMILESCCc1ccc(CN(C)CCC(=O)OC)s1
InChIInChI=1S/C12H19NO2S/c1-4-10-5-6-11(16-10)9-13(2)8-7-12(14)15-3/h5-6H,4,7-9H2,1-3H3
InChIKeyPCAPSGRLEIMJQL-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.31
Rot. Bonds6

About methyl 3-[(5-ethylthiophen-2-yl)methyl-methylamino]propanoate

methyl 3-[(5-ethylthiophen-2-yl)methyl-methylamino]propanoate (PubChem CID 62010884) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is methyl 3-[(5-ethylthiophen-2-yl)methyl-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-ethylthiophen-2-yl)methyl-methylamino]propanoate
PubChem CID62010884
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Namemethyl 3-[(5-ethylthiophen-2-yl)methyl-methylamino]propanoate
SMILESCCc1ccc(CN(C)CCC(=O)OC)s1
InChIInChI=1S/C12H19NO2S/c1-4-10-5-6-11(16-10)9-13(2)8-7-12(14)15-3/h5-6H,4,7-9H2,1-3H3
InChIKeyPCAPSGRLEIMJQL-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(5-ethylthiophen-2-yl)methyl-propylamino]acetate
CID 62010972
methyl 3-[(4-ethylphenyl)methyl-methylamino]propanoate
CID 60648146
N'-[(5-ethylthiophen-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 43373764
methyl 3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
CID 28830279
methyl 5-[[butyl(methyl)amino]methyl]thiophene-2-carboxylate
CID 21086213
methyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate
CID 60860643
prop-1-en-2-yl 3-[carbamothioyl-[(5-ethylthiophen-2-yl)methyl]amino]propanoate
CID 89090489
methyl 4-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]butanoate
CID 62013274
methyl 4-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]butanoate
CID 62045674
methyl 5-[[(3-methoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
CID 62012653
2,5-diethylthiophene
CID 521294
methyl 4-[2-(5-bromothiophen-2-yl)ethyl-methylamino]butanoate
CID 115233515

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-ethylthiophen-2-yl)methyl-methylamino]propanoate?
The IUPAC name of methyl 3-[(5-ethylthiophen-2-yl)methyl-methylamino]propanoate (CID 62010884) is methyl 3-[(5-ethylthiophen-2-yl)methyl-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(5-ethylthiophen-2-yl)methyl-methylamino]propanoate?
The canonical SMILES for methyl 3-[(5-ethylthiophen-2-yl)methyl-methylamino]propanoate is CCc1ccc(CN(C)CCC(=O)OC)s1.
What is the InChIKey of methyl 3-[(5-ethylthiophen-2-yl)methyl-methylamino]propanoate?
The InChIKey is PCAPSGRLEIMJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-10-5-6-11(16-10)9-13(2)8-7-12(14)15-3/h5-6H,4,7-9H2,1-3H3.
What are the key properties of methyl 3-[(5-ethylthiophen-2-yl)methyl-methylamino]propanoate?
methyl 3-[(5-ethylthiophen-2-yl)methyl-methylamino]propanoate has a molecular weight of 241.36 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-ethylthiophen-2-yl)methyl-methylamino]propanoate is sourced from PubChem (CID 62010884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).