4-[2-(3-methylazetidin-3-yl)oxyethyl]thiomorpholine

C10H20N2OS — CID 102656713

IUPAC4-[2-(3-methylazetidin-3-yl)oxyethyl]thiomorpholine
SMILESCC1(OCCN2CCSCC2)CNC1
InChIInChI=1S/C10H20N2OS/c1-10(8-11-9-10)13-5-2-12-3-6-14-7-4-12/h11H,2-9H2,1H3
InChIKeyPPWCYSCDEQKKNC-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.41
Rot. Bonds4

About 4-[2-(3-methylazetidin-3-yl)oxyethyl]thiomorpholine

4-[2-(3-methylazetidin-3-yl)oxyethyl]thiomorpholine (PubChem CID 102656713) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 4-[2-(3-methylazetidin-3-yl)oxyethyl]thiomorpholine.

Molecular Properties

Compound Name4-[2-(3-methylazetidin-3-yl)oxyethyl]thiomorpholine
PubChem CID102656713
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name4-[2-(3-methylazetidin-3-yl)oxyethyl]thiomorpholine
SMILESCC1(OCCN2CCSCC2)CNC1
InChIInChI=1S/C10H20N2OS/c1-10(8-11-9-10)13-5-2-12-3-6-14-7-4-12/h11H,2-9H2,1H3
InChIKeyPPWCYSCDEQKKNC-UHFFFAOYSA-N
XLogP0.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]pyrrolidine
CID 102656984
3,3-dimethyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine
CID 102656949
2-methyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine
CID 102656674
3-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine
CID 106587391
2-ethyl-4-[2-(3-methylazetidin-3-yl)oxyethyl]morpholine
CID 102656745
2,2,6-trimethyl-4-[2-(3-methylazetidin-3-yl)oxyethyl]morpholine
CID 102656869
3-ethoxy-3-methylazetidine
CID 83066072
1-[2-(3-methylazetidin-3-yl)oxyethyl]-2-propylpiperidine
CID 102657033
3-methyl-3-octoxyazetidine
CID 83065433
ethane;4-(4-methoxybutyl)thiomorpholine
CID 143134021
3-methyl-3-pent-4-enoxyazetidine
CID 83067660
3-(2-butoxyethoxy)-3-methylazetidine
CID 83066237

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylazetidin-3-yl)oxyethyl]thiomorpholine?
The IUPAC name of 4-[2-(3-methylazetidin-3-yl)oxyethyl]thiomorpholine (CID 102656713) is 4-[2-(3-methylazetidin-3-yl)oxyethyl]thiomorpholine.
What is the SMILES notation for 4-[2-(3-methylazetidin-3-yl)oxyethyl]thiomorpholine?
The canonical SMILES for 4-[2-(3-methylazetidin-3-yl)oxyethyl]thiomorpholine is CC1(OCCN2CCSCC2)CNC1.
What is the InChIKey of 4-[2-(3-methylazetidin-3-yl)oxyethyl]thiomorpholine?
The InChIKey is PPWCYSCDEQKKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-10(8-11-9-10)13-5-2-12-3-6-14-7-4-12/h11H,2-9H2,1H3.
What are the key properties of 4-[2-(3-methylazetidin-3-yl)oxyethyl]thiomorpholine?
4-[2-(3-methylazetidin-3-yl)oxyethyl]thiomorpholine has a molecular weight of 216.35 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylazetidin-3-yl)oxyethyl]thiomorpholine is sourced from PubChem (CID 102656713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).