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

C13H23NO2S — CID 70799594

IUPAC(1-methylcyclohexyl) 2-thiomorpholin-4-ylacetate
SMILESCC1(OC(=O)CN2CCSCC2)CCCCC1
InChIInChI=1S/C13H23NO2S/c1-13(5-3-2-4-6-13)16-12(15)11-14-7-9-17-10-8-14/h2-11H2,1H3
InChIKeyWRUYANDIIUWMKW-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.30
Rot. Bonds3

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

(1-methylcyclohexyl) 2-thiomorpholin-4-ylacetate (PubChem CID 70799594) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is (1-methylcyclohexyl) 2-thiomorpholin-4-ylacetate.

Molecular Properties

Compound Name(1-methylcyclohexyl) 2-thiomorpholin-4-ylacetate
PubChem CID70799594
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name(1-methylcyclohexyl) 2-thiomorpholin-4-ylacetate
SMILESCC1(OC(=O)CN2CCSCC2)CCCCC1
InChIInChI=1S/C13H23NO2S/c1-13(5-3-2-4-6-13)16-12(15)11-14-7-9-17-10-8-14/h2-11H2,1H3
InChIKeyWRUYANDIIUWMKW-UHFFFAOYSA-N
XLogP2.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methylcyclohexyl) 2-thiomorpholin-4-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexyl) 2-thiomorpholin-4-ylacetate?
The IUPAC name of (1-methylcyclohexyl) 2-thiomorpholin-4-ylacetate (CID 70799594) is (1-methylcyclohexyl) 2-thiomorpholin-4-ylacetate.
What is the SMILES notation for (1-methylcyclohexyl) 2-thiomorpholin-4-ylacetate?
The canonical SMILES for (1-methylcyclohexyl) 2-thiomorpholin-4-ylacetate is CC1(OC(=O)CN2CCSCC2)CCCCC1.
What is the InChIKey of (1-methylcyclohexyl) 2-thiomorpholin-4-ylacetate?
The InChIKey is WRUYANDIIUWMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-13(5-3-2-4-6-13)16-12(15)11-14-7-9-17-10-8-14/h2-11H2,1H3.
What are the key properties of (1-methylcyclohexyl) 2-thiomorpholin-4-ylacetate?
(1-methylcyclohexyl) 2-thiomorpholin-4-ylacetate has a molecular weight of 257.40 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl) 2-thiomorpholin-4-ylacetate is sourced from PubChem (CID 70799594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).