2-(diethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetate

C18H29NO3S — CID 24846938

IUPAC2-(diethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetate
SMILESCCN(CC)CCOC(=O)C(O)(c1cccs1)C1CCCCC1
InChIInChI=1S/C18H29NO3S/c1-3-19(4-2)12-13-22-17(20)18(21,16-11-8-14-23-16)15-9-6-5-7-10-15/h8,11,14-15,21H,3-7,9-10,12-13H2,1-2H3
InChIKeyIEENUMOCDKBVGC-UHFFFAOYSA-N
MW339.50 g/mol
LogP3.40
Rot. Bonds8

About 2-(diethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetate

2-(diethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetate (PubChem CID 24846938) has the molecular formula C18H29NO3S and a molecular weight of 339.50 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetate
PubChem CID24846938
Molecular FormulaC18H29NO3S
Molecular Weight339.50 g/mol
Exact Mass339.19
IUPAC Name2-(diethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetate
SMILESCCN(CC)CCOC(=O)C(O)(c1cccs1)C1CCCCC1
InChIInChI=1S/C18H29NO3S/c1-3-19(4-2)12-13-22-17(20)18(21,16-11-8-14-23-16)15-9-6-5-7-10-15/h8,11,14-15,21H,3-7,9-10,12-13H2,1-2H3
InChIKeyIEENUMOCDKBVGC-UHFFFAOYSA-N
XLogP3.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetate?
The IUPAC name of 2-(diethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetate (CID 24846938) is 2-(diethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetate?
The canonical SMILES for 2-(diethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetate is CCN(CC)CCOC(=O)C(O)(c1cccs1)C1CCCCC1.
What is the InChIKey of 2-(diethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetate?
The InChIKey is IEENUMOCDKBVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3S/c1-3-19(4-2)12-13-22-17(20)18(21,16-11-8-14-23-16)15-9-6-5-7-10-15/h8,11,14-15,21H,3-7,9-10,12-13H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetate?
2-(diethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetate has a molecular weight of 339.50 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetate is sourced from PubChem (CID 24846938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).