methyl 2-[5-[[[(1S)-1-cyclopentylethyl]amino]methyl]thiophen-2-yl]acetate

C15H23NO2S — CID 82888205

IUPACmethyl 2-[5-[[[(1S)-1-cyclopentylethyl]amino]methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CN[C@@H](C)C2CCCC2)s1
InChIInChI=1S/C15H23NO2S/c1-11(12-5-3-4-6-12)16-10-14-8-7-13(19-14)9-15(17)18-2/h7-8,11-12,16H,3-6,9-10H2,1-2H3/t11-/m0/s1
InChIKeyUQUFIJOLQYXWDF-NSHDSACASA-N
MW281.42 g/mol
LogP3.13
Rot. Bonds6

About methyl 2-[5-[[[(1S)-1-cyclopentylethyl]amino]methyl]thiophen-2-yl]acetate

methyl 2-[5-[[[(1S)-1-cyclopentylethyl]amino]methyl]thiophen-2-yl]acetate (PubChem CID 82888205) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is methyl 2-[5-[[[(1S)-1-cyclopentylethyl]amino]methyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[[[(1S)-1-cyclopentylethyl]amino]methyl]thiophen-2-yl]acetate
PubChem CID82888205
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Namemethyl 2-[5-[[[(1S)-1-cyclopentylethyl]amino]methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CN[C@@H](C)C2CCCC2)s1
InChIInChI=1S/C15H23NO2S/c1-11(12-5-3-4-6-12)16-10-14-8-7-13(19-14)9-15(17)18-2/h7-8,11-12,16H,3-6,9-10H2,1-2H3/t11-/m0/s1
InChIKeyUQUFIJOLQYXWDF-NSHDSACASA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[5-[[[(1S)-1-cyclopentylethyl]amino]methyl]thiophen-2-yl]acetate with MolForge

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Related Compounds

2-[5-[[[(1R)-1-cyclohexylethyl]amino]methyl]thiophen-2-yl]acetic acid
CID 82887623
(1S)-1-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 81386418
methyl 2-[5-[(cyclohexylamino)methyl]thiophen-2-yl]acetate
CID 82894760
methyl 2-[2-[[[(1R)-1-cyclohexylethyl]amino]methyl]phenyl]acetate
CID 115462242
methyl 2-[5-[(pentan-3-ylamino)methyl]thiophen-2-yl]acetate
CID 82894176
2-[[5-(2-methoxy-2-oxoethyl)thiophen-2-yl]methylamino]-4-methylpentanoic acid
CID 82894730
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine
CID 62632475
methyl 2-[2-[(1-cyclopropylethylamino)methyl]phenyl]acetate
CID 115461620
methyl 2-[5-[[(2,2-dimethylcyclopropyl)amino]methyl]thiophen-2-yl]acetate
CID 82894804
methyl 2-[5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]thiophen-2-yl]acetate
CID 82886056
methyl 2-[5-[(4-methylsulfanylbutan-2-ylamino)methyl]thiophen-2-yl]acetate
CID 115907619
methyl 2-[5-[[[(2S)-2-hydroxypropyl]amino]methyl]thiophen-2-yl]acetate
CID 103923824

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[[[(1S)-1-cyclopentylethyl]amino]methyl]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-[[[(1S)-1-cyclopentylethyl]amino]methyl]thiophen-2-yl]acetate (CID 82888205) is methyl 2-[5-[[[(1S)-1-cyclopentylethyl]amino]methyl]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[[[(1S)-1-cyclopentylethyl]amino]methyl]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[[[(1S)-1-cyclopentylethyl]amino]methyl]thiophen-2-yl]acetate is COC(=O)Cc1ccc(CN[C@@H](C)C2CCCC2)s1.
What is the InChIKey of methyl 2-[5-[[[(1S)-1-cyclopentylethyl]amino]methyl]thiophen-2-yl]acetate?
The InChIKey is UQUFIJOLQYXWDF-NSHDSACASA-N. The full InChI is InChI=1S/C15H23NO2S/c1-11(12-5-3-4-6-12)16-10-14-8-7-13(19-14)9-15(17)18-2/h7-8,11-12,16H,3-6,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of methyl 2-[5-[[[(1S)-1-cyclopentylethyl]amino]methyl]thiophen-2-yl]acetate?
methyl 2-[5-[[[(1S)-1-cyclopentylethyl]amino]methyl]thiophen-2-yl]acetate has a molecular weight of 281.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[[[(1S)-1-cyclopentylethyl]amino]methyl]thiophen-2-yl]acetate is sourced from PubChem (CID 82888205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).