N-ethyl-2-(4-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide

C15H26FNO2S — CID 140621981

IUPACN-ethyl-2-(4-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
SMILESCCN(CC1CCCS1)C(=O)COC1CCC(F)CC1
InChIInChI=1S/C15H26FNO2S/c1-2-17(10-14-4-3-9-20-14)15(18)11-19-13-7-5-12(16)6-8-13/h12-14H,2-11H2,1H3
InChIKeyWUJINFRICAUXIE-UHFFFAOYSA-N
MW303.44 g/mol
LogP3.03
Rot. Bonds6

About N-ethyl-2-(4-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide

N-ethyl-2-(4-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide (PubChem CID 140621981) has the molecular formula C15H26FNO2S and a molecular weight of 303.44 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
PubChem CID140621981
Molecular FormulaC15H26FNO2S
Molecular Weight303.44 g/mol
Exact Mass303.17
IUPAC NameN-ethyl-2-(4-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
SMILESCCN(CC1CCCS1)C(=O)COC1CCC(F)CC1
InChIInChI=1S/C15H26FNO2S/c1-2-17(10-14-4-3-9-20-14)15(18)11-19-13-7-5-12(16)6-8-13/h12-14H,2-11H2,1H3
InChIKeyWUJINFRICAUXIE-UHFFFAOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The IUPAC name of N-ethyl-2-(4-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide (CID 140621981) is N-ethyl-2-(4-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-ethyl-2-(4-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The canonical SMILES for N-ethyl-2-(4-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide is CCN(CC1CCCS1)C(=O)COC1CCC(F)CC1.
What is the InChIKey of N-ethyl-2-(4-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The InChIKey is WUJINFRICAUXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FNO2S/c1-2-17(10-14-4-3-9-20-14)15(18)11-19-13-7-5-12(16)6-8-13/h12-14H,2-11H2,1H3.
What are the key properties of N-ethyl-2-(4-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
N-ethyl-2-(4-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide has a molecular weight of 303.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorocyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide is sourced from PubChem (CID 140621981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).