ethyl 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetate

C10H14BrNO2S — CID 116914263

IUPACethyl 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetate
SMILESCCOC(=O)C(c1cc(Br)cs1)N(C)C
InChIInChI=1S/C10H14BrNO2S/c1-4-14-10(13)9(12(2)3)8-5-7(11)6-15-8/h5-6,9H,4H2,1-3H3
InChIKeyKLIYSNXYVZXYLX-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.68
Rot. Bonds4

About ethyl 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetate

ethyl 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetate (PubChem CID 116914263) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is ethyl 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetate
PubChem CID116914263
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Nameethyl 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetate
SMILESCCOC(=O)C(c1cc(Br)cs1)N(C)C
InChIInChI=1S/C10H14BrNO2S/c1-4-14-10(13)9(12(2)3)8-5-7(11)6-15-8/h5-6,9H,4H2,1-3H3
InChIKeyKLIYSNXYVZXYLX-UHFFFAOYSA-N
XLogP2.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetic acid
CID 54595909
(2S)-2-(4-bromothiophen-2-yl)-2-(dimethylamino)-N-(3-ethoxypropyl)acetamide
CID 125419034
ethyl (3R)-3-amino-3-(4-bromothiophen-2-yl)-2-fluoropropanoate;hydrochloride
CID 171245711
3-amino-3-(4-bromothiophen-2-yl)-N-methylpropanehydrazide
CID 116849246
N-[2-(4-bromophenyl)ethyl]-2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetamide
CID 166218784
2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol
CID 116857267
amino 2-(4-bromothiophen-2-yl)propanoate
CID 90857194
1-(4-bromothiophen-2-yl)-1-propoxybutan-2-one
CID 83225379
ethyl N-[4-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]carbamate
CID 107167756
4-(4-bromothiophen-2-yl)-4-(dimethylamino)-3,3-dimethylbutanoic acid
CID 116908210
1-(4-bromothiophen-2-yl)-2-ethoxyethanol
CID 79567182
ethyl (2S)-2-(dimethylamino)butanoate
CID 51673671

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetate?
The IUPAC name of ethyl 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetate (CID 116914263) is ethyl 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetate.
What is the SMILES notation for ethyl 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetate?
The canonical SMILES for ethyl 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetate is CCOC(=O)C(c1cc(Br)cs1)N(C)C.
What is the InChIKey of ethyl 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetate?
The InChIKey is KLIYSNXYVZXYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-4-14-10(13)9(12(2)3)8-5-7(11)6-15-8/h5-6,9H,4H2,1-3H3.
What are the key properties of ethyl 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetate?
ethyl 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetate has a molecular weight of 292.20 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetate is sourced from PubChem (CID 116914263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).