methyl 2-[5-[(3-ethylpentan-3-ylamino)methyl]thiophen-2-yl]acetate

C15H25NO2S — CID 82894379

IUPACmethyl 2-[5-[(3-ethylpentan-3-ylamino)methyl]thiophen-2-yl]acetate
SMILESCCC(CC)(CC)NCc1ccc(CC(=O)OC)s1
InChIInChI=1S/C15H25NO2S/c1-5-15(6-2,7-3)16-11-13-9-8-12(19-13)10-14(17)18-4/h8-9,16H,5-7,10-11H2,1-4H3
InChIKeyQFOJJWKUJDHCNF-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.52
Rot. Bonds8

About methyl 2-[5-[(3-ethylpentan-3-ylamino)methyl]thiophen-2-yl]acetate

methyl 2-[5-[(3-ethylpentan-3-ylamino)methyl]thiophen-2-yl]acetate (PubChem CID 82894379) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is methyl 2-[5-[(3-ethylpentan-3-ylamino)methyl]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[(3-ethylpentan-3-ylamino)methyl]thiophen-2-yl]acetate
PubChem CID82894379
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Namemethyl 2-[5-[(3-ethylpentan-3-ylamino)methyl]thiophen-2-yl]acetate
SMILESCCC(CC)(CC)NCc1ccc(CC(=O)OC)s1
InChIInChI=1S/C15H25NO2S/c1-5-15(6-2,7-3)16-11-13-9-8-12(19-13)10-14(17)18-4/h8-9,16H,5-7,10-11H2,1-4H3
InChIKeyQFOJJWKUJDHCNF-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[5-[(3-ethylpentan-3-ylamino)methyl]thiophen-2-yl]acetate with MolForge

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Related Compounds

methyl 2-[5-[(pentan-3-ylamino)methyl]thiophen-2-yl]acetate
CID 82894176
2-ethyl-2-[(5-ethylthiophen-2-yl)methylamino]propane-1,3-diol
CID 103880567
methyl 2-[5-[[(5-methylthiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894584
methyl 2-[5-[(cyclohexylamino)methyl]thiophen-2-yl]acetate
CID 82894760
methyl 2-[5-[[[(2S)-2-hydroxypropyl]amino]methyl]thiophen-2-yl]acetate
CID 103923824
methyl 2-[5-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]thiophen-2-yl]acetate
CID 82894896
methyl 2-[5-[(2-acetamidoethylamino)methyl]thiophen-2-yl]acetate
CID 82894116
methyl 2-[5-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]thiophen-2-yl]acetate
CID 82894708
methyl 2-[5-[[[(1S)-1-cyclopentylethyl]amino]methyl]thiophen-2-yl]acetate
CID 82888205
methyl 2-[5-[(1-hydroxypentan-3-ylamino)methyl]thiophen-2-yl]acetate
CID 115907658
methyl 2-[5-[(3-ethylsulfanylpropylamino)methyl]thiophen-2-yl]acetate
CID 114247942
methyl 2-[5-[[(3-ethylthiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 82895050

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(3-ethylpentan-3-ylamino)methyl]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-[(3-ethylpentan-3-ylamino)methyl]thiophen-2-yl]acetate (CID 82894379) is methyl 2-[5-[(3-ethylpentan-3-ylamino)methyl]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-[(3-ethylpentan-3-ylamino)methyl]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-[(3-ethylpentan-3-ylamino)methyl]thiophen-2-yl]acetate is CCC(CC)(CC)NCc1ccc(CC(=O)OC)s1.
What is the InChIKey of methyl 2-[5-[(3-ethylpentan-3-ylamino)methyl]thiophen-2-yl]acetate?
The InChIKey is QFOJJWKUJDHCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-5-15(6-2,7-3)16-11-13-9-8-12(19-13)10-14(17)18-4/h8-9,16H,5-7,10-11H2,1-4H3.
What are the key properties of methyl 2-[5-[(3-ethylpentan-3-ylamino)methyl]thiophen-2-yl]acetate?
methyl 2-[5-[(3-ethylpentan-3-ylamino)methyl]thiophen-2-yl]acetate has a molecular weight of 283.44 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(3-ethylpentan-3-ylamino)methyl]thiophen-2-yl]acetate is sourced from PubChem (CID 82894379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).