ethyl 2-(cyclopropylmethylamino)-2-(5-ethylthiophen-2-yl)acetate

C14H21NO2S — CID 62345226

IUPACethyl 2-(cyclopropylmethylamino)-2-(5-ethylthiophen-2-yl)acetate
SMILESCCOC(=O)C(NCC1CC1)c1ccc(CC)s1
InChIInChI=1S/C14H21NO2S/c1-3-11-7-8-12(18-11)13(14(16)17-4-2)15-9-10-5-6-10/h7-8,10,13,15H,3-6,9H2,1-2H3
InChIKeyHJEMFWJNUOPZJR-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.91
Rot. Bonds7

About ethyl 2-(cyclopropylmethylamino)-2-(5-ethylthiophen-2-yl)acetate

ethyl 2-(cyclopropylmethylamino)-2-(5-ethylthiophen-2-yl)acetate (PubChem CID 62345226) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is ethyl 2-(cyclopropylmethylamino)-2-(5-ethylthiophen-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylmethylamino)-2-(5-ethylthiophen-2-yl)acetate
PubChem CID62345226
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Nameethyl 2-(cyclopropylmethylamino)-2-(5-ethylthiophen-2-yl)acetate
SMILESCCOC(=O)C(NCC1CC1)c1ccc(CC)s1
InChIInChI=1S/C14H21NO2S/c1-3-11-7-8-12(18-11)13(14(16)17-4-2)15-9-10-5-6-10/h7-8,10,13,15H,3-6,9H2,1-2H3
InChIKeyHJEMFWJNUOPZJR-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(5-methylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetate
CID 61345194
ethyl 2-(cyclopropylmethylamino)-2-(4-hydroxyphenyl)acetate
CID 54894410
ethyl 2-(cyclopropylmethylamino)-2-(4-propan-2-ylphenyl)acetate
CID 61001864
methyl 2-(cyclopentylamino)-2-(5-ethylthiophen-2-yl)acetate
CID 62345405
1-(5-ethylthiophen-2-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107412059
ethyl 2-(3-chloroanilino)-2-(5-ethylthiophen-2-yl)acetate
CID 62345223
2-(cycloheptylamino)-2-(5-ethylthiophen-2-yl)acetamide
CID 62345928
ethyl 2-(cyclopropylmethylamino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate
CID 64975145
ethyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetate
CID 107698194
ethyl 2-(cyclopropylmethylamino)-2-(3-ethoxy-4-hydroxyphenyl)acetate
CID 61001735
ethyl 2-(cyclohexylamino)-2-(5-methylthiophen-2-yl)acetate
CID 61345599
ethyl 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylmethylamino)acetate
CID 104816560

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylmethylamino)-2-(5-ethylthiophen-2-yl)acetate?
The IUPAC name of ethyl 2-(cyclopropylmethylamino)-2-(5-ethylthiophen-2-yl)acetate (CID 62345226) is ethyl 2-(cyclopropylmethylamino)-2-(5-ethylthiophen-2-yl)acetate.
What is the SMILES notation for ethyl 2-(cyclopropylmethylamino)-2-(5-ethylthiophen-2-yl)acetate?
The canonical SMILES for ethyl 2-(cyclopropylmethylamino)-2-(5-ethylthiophen-2-yl)acetate is CCOC(=O)C(NCC1CC1)c1ccc(CC)s1.
What is the InChIKey of ethyl 2-(cyclopropylmethylamino)-2-(5-ethylthiophen-2-yl)acetate?
The InChIKey is HJEMFWJNUOPZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-11-7-8-12(18-11)13(14(16)17-4-2)15-9-10-5-6-10/h7-8,10,13,15H,3-6,9H2,1-2H3.
What are the key properties of ethyl 2-(cyclopropylmethylamino)-2-(5-ethylthiophen-2-yl)acetate?
ethyl 2-(cyclopropylmethylamino)-2-(5-ethylthiophen-2-yl)acetate has a molecular weight of 267.39 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylmethylamino)-2-(5-ethylthiophen-2-yl)acetate is sourced from PubChem (CID 62345226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).