2-[2-(2-methylthiomorpholin-4-yl)ethoxy]ethanol

C9H19NO2S — CID 115642502

IUPAC2-[2-(2-methylthiomorpholin-4-yl)ethoxy]ethanol
SMILESCC1CN(CCOCCO)CCS1
InChIInChI=1S/C9H19NO2S/c1-9-8-10(3-7-13-9)2-5-12-6-4-11/h9,11H,2-8H2,1H3
InChIKeyFPFIASYZTPYDKC-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.43
Rot. Bonds5

About 2-[2-(2-methylthiomorpholin-4-yl)ethoxy]ethanol

2-[2-(2-methylthiomorpholin-4-yl)ethoxy]ethanol (PubChem CID 115642502) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-[2-(2-methylthiomorpholin-4-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-methylthiomorpholin-4-yl)ethoxy]ethanol
PubChem CID115642502
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-[2-(2-methylthiomorpholin-4-yl)ethoxy]ethanol
SMILESCC1CN(CCOCCO)CCS1
InChIInChI=1S/C9H19NO2S/c1-9-8-10(3-7-13-9)2-5-12-6-4-11/h9,11H,2-8H2,1H3
InChIKeyFPFIASYZTPYDKC-UHFFFAOYSA-N
XLogP0.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.43
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylthiomorpholin-4-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-methylthiomorpholin-4-yl)ethoxy]ethanol (CID 115642502) is 2-[2-(2-methylthiomorpholin-4-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-methylthiomorpholin-4-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-methylthiomorpholin-4-yl)ethoxy]ethanol is CC1CN(CCOCCO)CCS1.
What is the InChIKey of 2-[2-(2-methylthiomorpholin-4-yl)ethoxy]ethanol?
The InChIKey is FPFIASYZTPYDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-9-8-10(3-7-13-9)2-5-12-6-4-11/h9,11H,2-8H2,1H3.
What are the key properties of 2-[2-(2-methylthiomorpholin-4-yl)ethoxy]ethanol?
2-[2-(2-methylthiomorpholin-4-yl)ethoxy]ethanol has a molecular weight of 205.32 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylthiomorpholin-4-yl)ethoxy]ethanol is sourced from PubChem (CID 115642502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).