ethyl 2-(cyclohexylamino)-2-(5-methylthiophen-2-yl)acetate

C15H23NO2S — CID 61345599

IUPACethyl 2-(cyclohexylamino)-2-(5-methylthiophen-2-yl)acetate
SMILESCCOC(=O)C(NC1CCCCC1)c1ccc(C)s1
InChIInChI=1S/C15H23NO2S/c1-3-18-15(17)14(13-10-9-11(2)19-13)16-12-7-5-4-6-8-12/h9-10,12,14,16H,3-8H2,1-2H3
InChIKeyOSFCYTYTXWTYMH-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.58
Rot. Bonds5

About ethyl 2-(cyclohexylamino)-2-(5-methylthiophen-2-yl)acetate

ethyl 2-(cyclohexylamino)-2-(5-methylthiophen-2-yl)acetate (PubChem CID 61345599) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is ethyl 2-(cyclohexylamino)-2-(5-methylthiophen-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(cyclohexylamino)-2-(5-methylthiophen-2-yl)acetate
PubChem CID61345599
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Nameethyl 2-(cyclohexylamino)-2-(5-methylthiophen-2-yl)acetate
SMILESCCOC(=O)C(NC1CCCCC1)c1ccc(C)s1
InChIInChI=1S/C15H23NO2S/c1-3-18-15(17)14(13-10-9-11(2)19-13)16-12-7-5-4-6-8-12/h9-10,12,14,16H,3-8H2,1-2H3
InChIKeyOSFCYTYTXWTYMH-UHFFFAOYSA-N
XLogP3.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(5-bromothiophen-2-yl)-2-(cycloheptylamino)acetate
CID 61346829
2-(cyclopentylamino)-2-(5-methylthiophen-2-yl)acetic acid
CID 61345197
methyl 2-(cyclopentylamino)-2-(5-ethylthiophen-2-yl)acetate
CID 62345405
ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate
CID 54892913
2-(cycloheptylamino)-2-(5-ethylthiophen-2-yl)acetamide
CID 62345928
ethyl 2-(5-methylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetate
CID 61345194
ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)acetate
CID 113373043
ethyl 2-(cyclohexylamino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822573
2-(cyclopentylamino)-2-(5-methylthiophen-2-yl)ethanol
CID 61345205
ethyl 2-(cyclopentylamino)-2-(3,5-dichlorophenyl)acetate
CID 60998051
ethyl 2-(cyclopentylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetate
CID 60998655
ethyl 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 113451366

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclohexylamino)-2-(5-methylthiophen-2-yl)acetate?
The IUPAC name of ethyl 2-(cyclohexylamino)-2-(5-methylthiophen-2-yl)acetate (CID 61345599) is ethyl 2-(cyclohexylamino)-2-(5-methylthiophen-2-yl)acetate.
What is the SMILES notation for ethyl 2-(cyclohexylamino)-2-(5-methylthiophen-2-yl)acetate?
The canonical SMILES for ethyl 2-(cyclohexylamino)-2-(5-methylthiophen-2-yl)acetate is CCOC(=O)C(NC1CCCCC1)c1ccc(C)s1.
What is the InChIKey of ethyl 2-(cyclohexylamino)-2-(5-methylthiophen-2-yl)acetate?
The InChIKey is OSFCYTYTXWTYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-18-15(17)14(13-10-9-11(2)19-13)16-12-7-5-4-6-8-12/h9-10,12,14,16H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(cyclohexylamino)-2-(5-methylthiophen-2-yl)acetate?
ethyl 2-(cyclohexylamino)-2-(5-methylthiophen-2-yl)acetate has a molecular weight of 281.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclohexylamino)-2-(5-methylthiophen-2-yl)acetate is sourced from PubChem (CID 61345599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).