ethyl 2-[methyl-(3-methylthiophen-2-yl)amino]acetate

C10H15NO2S — CID 115257352

IUPACethyl 2-[methyl-(3-methylthiophen-2-yl)amino]acetate
SMILESCCOC(=O)CN(C)c1sccc1C
InChIInChI=1S/C10H15NO2S/c1-4-13-9(12)7-11(3)10-8(2)5-6-14-10/h5-6H,4,7H2,1-3H3
InChIKeyHPPFFODSRAYXDI-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.06
Rot. Bonds4

About ethyl 2-[methyl-(3-methylthiophen-2-yl)amino]acetate

ethyl 2-[methyl-(3-methylthiophen-2-yl)amino]acetate (PubChem CID 115257352) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is ethyl 2-[methyl-(3-methylthiophen-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-(3-methylthiophen-2-yl)amino]acetate
PubChem CID115257352
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Nameethyl 2-[methyl-(3-methylthiophen-2-yl)amino]acetate
SMILESCCOC(=O)CN(C)c1sccc1C
InChIInChI=1S/C10H15NO2S/c1-4-13-9(12)7-11(3)10-8(2)5-6-14-10/h5-6H,4,7H2,1-3H3
InChIKeyHPPFFODSRAYXDI-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-[(3-methylthiophen-2-yl)amino]acetate
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ethyl 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetate
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ethyl 3-[(3-methylthiophen-2-yl)amino]-3-oxopropanoate
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ethyl 2-(4-hydroxysulfanyl-N-methylanilino)acetate
CID 143002965
(2-ethoxy-2-oxoethyl) 2-(3-methylthiophen-2-yl)acetate
CID 54165480
ethyl 2-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]-propan-2-ylamino]acetate
CID 61022184
ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(3-methylthiophen-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[methyl-(3-methylthiophen-2-yl)amino]acetate (CID 115257352) is ethyl 2-[methyl-(3-methylthiophen-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-(3-methylthiophen-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl-(3-methylthiophen-2-yl)amino]acetate is CCOC(=O)CN(C)c1sccc1C.
What is the InChIKey of ethyl 2-[methyl-(3-methylthiophen-2-yl)amino]acetate?
The InChIKey is HPPFFODSRAYXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-4-13-9(12)7-11(3)10-8(2)5-6-14-10/h5-6H,4,7H2,1-3H3.
What are the key properties of ethyl 2-[methyl-(3-methylthiophen-2-yl)amino]acetate?
ethyl 2-[methyl-(3-methylthiophen-2-yl)amino]acetate has a molecular weight of 213.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(3-methylthiophen-2-yl)amino]acetate is sourced from PubChem (CID 115257352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).