[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-thiomorpholin-4-ylacetate

C16H27NO4S — CID 70799610

IUPAC[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-thiomorpholin-4-ylacetate
SMILESCCC1(OC(=O)COC(=O)CN2CCSCC2)CCCCC1
InChIInChI=1S/C16H27NO4S/c1-2-16(6-4-3-5-7-16)21-15(19)13-20-14(18)12-17-8-10-22-11-9-17/h2-13H2,1H3
InChIKeyNDASGXSZIWPCNP-UHFFFAOYSA-N
MW329.46 g/mol
LogP2.23
Rot. Bonds6

About [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-thiomorpholin-4-ylacetate

[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-thiomorpholin-4-ylacetate (PubChem CID 70799610) has the molecular formula C16H27NO4S and a molecular weight of 329.46 g/mol. Its IUPAC name is [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-thiomorpholin-4-ylacetate.

Molecular Properties

Compound Name[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-thiomorpholin-4-ylacetate
PubChem CID70799610
Molecular FormulaC16H27NO4S
Molecular Weight329.46 g/mol
Exact Mass329.17
IUPAC Name[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-thiomorpholin-4-ylacetate
SMILESCCC1(OC(=O)COC(=O)CN2CCSCC2)CCCCC1
InChIInChI=1S/C16H27NO4S/c1-2-16(6-4-3-5-7-16)21-15(19)13-20-14(18)12-17-8-10-22-11-9-17/h2-13H2,1H3
InChIKeyNDASGXSZIWPCNP-UHFFFAOYSA-N
XLogP2.23
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-thiomorpholin-4-ylacetate?
The IUPAC name of [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-thiomorpholin-4-ylacetate (CID 70799610) is [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-thiomorpholin-4-ylacetate.
What is the SMILES notation for [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-thiomorpholin-4-ylacetate?
The canonical SMILES for [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-thiomorpholin-4-ylacetate is CCC1(OC(=O)COC(=O)CN2CCSCC2)CCCCC1.
What is the InChIKey of [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-thiomorpholin-4-ylacetate?
The InChIKey is NDASGXSZIWPCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4S/c1-2-16(6-4-3-5-7-16)21-15(19)13-20-14(18)12-17-8-10-22-11-9-17/h2-13H2,1H3.
What are the key properties of [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-thiomorpholin-4-ylacetate?
[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-thiomorpholin-4-ylacetate has a molecular weight of 329.46 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-thiomorpholin-4-ylacetate is sourced from PubChem (CID 70799610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).