(1-ethylcyclohexyl) 2-thiomorpholin-4-ylacetate

C14H25NO2S — CID 70799597

IUPAC(1-ethylcyclohexyl) 2-thiomorpholin-4-ylacetate
SMILESCCC1(OC(=O)CN2CCSCC2)CCCCC1
InChIInChI=1S/C14H25NO2S/c1-2-14(6-4-3-5-7-14)17-13(16)12-15-8-10-18-11-9-15/h2-12H2,1H3
InChIKeyDGKITTZNFCLJMY-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.69
Rot. Bonds4

About (1-ethylcyclohexyl) 2-thiomorpholin-4-ylacetate

(1-ethylcyclohexyl) 2-thiomorpholin-4-ylacetate (PubChem CID 70799597) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is (1-ethylcyclohexyl) 2-thiomorpholin-4-ylacetate.

Molecular Properties

Compound Name(1-ethylcyclohexyl) 2-thiomorpholin-4-ylacetate
PubChem CID70799597
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name(1-ethylcyclohexyl) 2-thiomorpholin-4-ylacetate
SMILESCCC1(OC(=O)CN2CCSCC2)CCCCC1
InChIInChI=1S/C14H25NO2S/c1-2-14(6-4-3-5-7-14)17-13(16)12-15-8-10-18-11-9-15/h2-12H2,1H3
InChIKeyDGKITTZNFCLJMY-UHFFFAOYSA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclohexyl) 2-thiomorpholin-4-ylacetate?
The IUPAC name of (1-ethylcyclohexyl) 2-thiomorpholin-4-ylacetate (CID 70799597) is (1-ethylcyclohexyl) 2-thiomorpholin-4-ylacetate.
What is the SMILES notation for (1-ethylcyclohexyl) 2-thiomorpholin-4-ylacetate?
The canonical SMILES for (1-ethylcyclohexyl) 2-thiomorpholin-4-ylacetate is CCC1(OC(=O)CN2CCSCC2)CCCCC1.
What is the InChIKey of (1-ethylcyclohexyl) 2-thiomorpholin-4-ylacetate?
The InChIKey is DGKITTZNFCLJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-2-14(6-4-3-5-7-14)17-13(16)12-15-8-10-18-11-9-15/h2-12H2,1H3.
What are the key properties of (1-ethylcyclohexyl) 2-thiomorpholin-4-ylacetate?
(1-ethylcyclohexyl) 2-thiomorpholin-4-ylacetate has a molecular weight of 271.43 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclohexyl) 2-thiomorpholin-4-ylacetate is sourced from PubChem (CID 70799597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).