methyl 3-[1-benzothiophen-3-ylmethyl(ethyl)amino]propanoate

C15H19NO2S — CID 62111485

IUPACmethyl 3-[1-benzothiophen-3-ylmethyl(ethyl)amino]propanoate
SMILESCCN(CCC(=O)OC)Cc1csc2ccccc12
InChIInChI=1S/C15H19NO2S/c1-3-16(9-8-15(17)18-2)10-12-11-19-14-7-5-4-6-13(12)14/h4-7,11H,3,8-10H2,1-2H3
InChIKeyZUKGKJLSHMTNER-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.29
Rot. Bonds6

About methyl 3-[1-benzothiophen-3-ylmethyl(ethyl)amino]propanoate

methyl 3-[1-benzothiophen-3-ylmethyl(ethyl)amino]propanoate (PubChem CID 62111485) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is methyl 3-[1-benzothiophen-3-ylmethyl(ethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[1-benzothiophen-3-ylmethyl(ethyl)amino]propanoate
PubChem CID62111485
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Namemethyl 3-[1-benzothiophen-3-ylmethyl(ethyl)amino]propanoate
SMILESCCN(CCC(=O)OC)Cc1csc2ccccc12
InChIInChI=1S/C15H19NO2S/c1-3-16(9-8-15(17)18-2)10-12-11-19-14-7-5-4-6-13(12)14/h4-7,11H,3,8-10H2,1-2H3
InChIKeyZUKGKJLSHMTNER-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-benzothiophen-3-ylmethyl(ethyl)amino]propanenitrile
CID 63744842
3-[1-benzothiophen-3-ylmethyl(methyl)amino]propanoic acid;hydrochloride
CID 172907533
2-[[1-benzothiophen-3-ylmethyl(ethyl)amino]methyl]aniline
CID 63737220
methyl 3-[(2,3-dichlorophenyl)methyl-ethylamino]propanoate
CID 113228358
3-[1-benzothiophen-3-ylmethyl(tert-butyl)amino]propanoic acid
CID 63737051
methyl 3-[(3-cyano-2-fluorophenyl)methyl-ethylamino]propanoate
CID 103912107
1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea
CID 115169299
N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide
CID 115166467
2-[1-benzothiophen-3-ylmethyl(propyl)amino]ethanethioamide
CID 63742819
methyl 3-[(4-aminoquinazolin-2-yl)methyl-ethylamino]propanoate
CID 62028118
methyl 3-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]propanoate
CID 110008646
N-(1-benzothiophen-3-ylmethyl)-N-(2-bromoethyl)butan-1-amine
CID 80673329

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-benzothiophen-3-ylmethyl(ethyl)amino]propanoate?
The IUPAC name of methyl 3-[1-benzothiophen-3-ylmethyl(ethyl)amino]propanoate (CID 62111485) is methyl 3-[1-benzothiophen-3-ylmethyl(ethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[1-benzothiophen-3-ylmethyl(ethyl)amino]propanoate?
The canonical SMILES for methyl 3-[1-benzothiophen-3-ylmethyl(ethyl)amino]propanoate is CCN(CCC(=O)OC)Cc1csc2ccccc12.
What is the InChIKey of methyl 3-[1-benzothiophen-3-ylmethyl(ethyl)amino]propanoate?
The InChIKey is ZUKGKJLSHMTNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-3-16(9-8-15(17)18-2)10-12-11-19-14-7-5-4-6-13(12)14/h4-7,11H,3,8-10H2,1-2H3.
What are the key properties of methyl 3-[1-benzothiophen-3-ylmethyl(ethyl)amino]propanoate?
methyl 3-[1-benzothiophen-3-ylmethyl(ethyl)amino]propanoate has a molecular weight of 277.39 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-benzothiophen-3-ylmethyl(ethyl)amino]propanoate is sourced from PubChem (CID 62111485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).