3-[2-(2-methoxyethoxy)ethylsulfanylmethyl]azetidine

C9H19NO2S — CID 66290715

IUPAC3-[2-(2-methoxyethoxy)ethylsulfanylmethyl]azetidine
SMILESCOCCOCCSCC1CNC1
InChIInChI=1S/C9H19NO2S/c1-11-2-3-12-4-5-13-8-9-6-10-7-9/h9-10H,2-8H2,1H3
InChIKeyXYOBYFFHENLDAO-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.60
Rot. Bonds8

About 3-[2-(2-methoxyethoxy)ethylsulfanylmethyl]azetidine

3-[2-(2-methoxyethoxy)ethylsulfanylmethyl]azetidine (PubChem CID 66290715) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethylsulfanylmethyl]azetidine.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethylsulfanylmethyl]azetidine
PubChem CID66290715
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name3-[2-(2-methoxyethoxy)ethylsulfanylmethyl]azetidine
SMILESCOCCOCCSCC1CNC1
InChIInChI=1S/C9H19NO2S/c1-11-2-3-12-4-5-13-8-9-6-10-7-9/h9-10H,2-8H2,1H3
InChIKeyXYOBYFFHENLDAO-UHFFFAOYSA-N
XLogP0.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[2-(2-methoxyethoxy)ethyl]pyrrolidine
CID 86324088
3-(2-phenoxyethylsulfanylmethyl)azetidine
CID 66289679
2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethanol
CID 104565079
3-(pent-3-ynylsulfanylmethyl)azetidine
CID 104808094
1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyldisulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 102414986
2-(azetidin-3-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 64609560
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-4,4-dimethylpentane
CID 169283665
1-[2-[2-(azetidin-3-ylmethylsulfanyl)ethoxy]phenyl]ethanone
CID 66290961
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
3-[3-(2-methoxyethoxy)propyl]piperidine
CID 103413398

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethylsulfanylmethyl]azetidine?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethylsulfanylmethyl]azetidine (CID 66290715) is 3-[2-(2-methoxyethoxy)ethylsulfanylmethyl]azetidine.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethylsulfanylmethyl]azetidine?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethylsulfanylmethyl]azetidine is COCCOCCSCC1CNC1.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethylsulfanylmethyl]azetidine?
The InChIKey is XYOBYFFHENLDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-11-2-3-12-4-5-13-8-9-6-10-7-9/h9-10H,2-8H2,1H3.
What are the key properties of 3-[2-(2-methoxyethoxy)ethylsulfanylmethyl]azetidine?
3-[2-(2-methoxyethoxy)ethylsulfanylmethyl]azetidine has a molecular weight of 205.32 g/mol, XLogP of 0.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethylsulfanylmethyl]azetidine is sourced from PubChem (CID 66290715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).