methyl 2-[5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]thiophen-2-yl]acetate

C15H18N2O2S — CID 82886056

IUPACmethyl 2-[5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CN[C@@H](C)c2ccncc2)s1
InChIInChI=1S/C15H18N2O2S/c1-11(12-5-7-16-8-6-12)17-10-14-4-3-13(20-14)9-15(18)19-2/h3-8,11,17H,9-10H2,1-2H3/t11-/m0/s1
InChIKeyFHLTXBGYCMUIFF-NSHDSACASA-N
MW290.39 g/mol
LogP2.71
Rot. Bonds6

About methyl 2-[5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]thiophen-2-yl]acetate

methyl 2-[5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]thiophen-2-yl]acetate (PubChem CID 82886056) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is methyl 2-[5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]thiophen-2-yl]acetate
PubChem CID82886056
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Namemethyl 2-[5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(CN[C@@H](C)c2ccncc2)s1
InChIInChI=1S/C15H18N2O2S/c1-11(12-5-7-16-8-6-12)17-10-14-4-3-13(20-14)9-15(18)19-2/h3-8,11,17H,9-10H2,1-2H3/t11-/m0/s1
InChIKeyFHLTXBGYCMUIFF-NSHDSACASA-N
XLogP2.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]thiophen-2-yl]acetate with MolForge

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Related Compounds

5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103258908
(1R)-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 28644855
methyl 2-[5-[(pentan-3-ylamino)methyl]thiophen-2-yl]acetate
CID 82894176
methyl 2-[5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]thiophen-2-yl]acetate
CID 82893986
2-[[5-(2-methoxy-2-oxoethyl)thiophen-2-yl]methylamino]-4-methylpentanoic acid
CID 82894730
methyl 2-[5-[[[(1S)-1-cyclopentylethyl]amino]methyl]thiophen-2-yl]acetate
CID 82888205
2-[5-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]thiophen-2-yl]acetic acid
CID 114158445
2-[5-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]thiophen-2-yl]acetic acid
CID 82888377
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
2-[5-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]thiophen-2-yl]acetic acid
CID 82885615
(1R)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81395728

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]thiophen-2-yl]acetate (CID 82886056) is methyl 2-[5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]thiophen-2-yl]acetate is COC(=O)Cc1ccc(CN[C@@H](C)c2ccncc2)s1.
What is the InChIKey of methyl 2-[5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]thiophen-2-yl]acetate?
The InChIKey is FHLTXBGYCMUIFF-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11(12-5-7-16-8-6-12)17-10-14-4-3-13(20-14)9-15(18)19-2/h3-8,11,17H,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of methyl 2-[5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]thiophen-2-yl]acetate?
methyl 2-[5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]thiophen-2-yl]acetate has a molecular weight of 290.39 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]thiophen-2-yl]acetate is sourced from PubChem (CID 82886056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).