ethyl 2-[propan-2-yl(thiophen-3-ylmethyl)amino]acetate

C12H19NO2S — CID 62027010

IUPACethyl 2-[propan-2-yl(thiophen-3-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccsc1)C(C)C
InChIInChI=1S/C12H19NO2S/c1-4-15-12(14)8-13(10(2)3)7-11-5-6-16-9-11/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyBQLTVLDOERLJBU-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.52
Rot. Bonds6

About ethyl 2-[propan-2-yl(thiophen-3-ylmethyl)amino]acetate

ethyl 2-[propan-2-yl(thiophen-3-ylmethyl)amino]acetate (PubChem CID 62027010) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is ethyl 2-[propan-2-yl(thiophen-3-ylmethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[propan-2-yl(thiophen-3-ylmethyl)amino]acetate
PubChem CID62027010
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Nameethyl 2-[propan-2-yl(thiophen-3-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccsc1)C(C)C
InChIInChI=1S/C12H19NO2S/c1-4-15-12(14)8-13(10(2)3)7-11-5-6-16-9-11/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyBQLTVLDOERLJBU-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate
CID 62028710
ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate
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ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate
CID 60775299
2-amino-N-propan-2-yl-N-(thiophen-3-ylmethyl)acetamide
CID 66569001
ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate
CID 64660856
ethyl 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetate
CID 60965797
ethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 112550243
methyl 3-[ethoxycarbonyl(thiophen-3-ylmethyl)amino]propanoate
CID 58293749
2-[benzyl-(2-ethoxy-2-oxoethyl)amino]butanoic acid
CID 115536693
ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 63985132
ethyl 2-[benzyl(1-methoxypropan-2-yl)amino]acetate
CID 79006267
ethyl 2-[propan-2-yl(quinolin-2-ylmethyl)amino]acetate
CID 62027380

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propan-2-yl(thiophen-3-ylmethyl)amino]acetate?
The IUPAC name of ethyl 2-[propan-2-yl(thiophen-3-ylmethyl)amino]acetate (CID 62027010) is ethyl 2-[propan-2-yl(thiophen-3-ylmethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[propan-2-yl(thiophen-3-ylmethyl)amino]acetate?
The canonical SMILES for ethyl 2-[propan-2-yl(thiophen-3-ylmethyl)amino]acetate is CCOC(=O)CN(Cc1ccsc1)C(C)C.
What is the InChIKey of ethyl 2-[propan-2-yl(thiophen-3-ylmethyl)amino]acetate?
The InChIKey is BQLTVLDOERLJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-15-12(14)8-13(10(2)3)7-11-5-6-16-9-11/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of ethyl 2-[propan-2-yl(thiophen-3-ylmethyl)amino]acetate?
ethyl 2-[propan-2-yl(thiophen-3-ylmethyl)amino]acetate has a molecular weight of 241.36 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[propan-2-yl(thiophen-3-ylmethyl)amino]acetate is sourced from PubChem (CID 62027010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).