2-[2-(2-propan-2-ylthiomorpholin-4-yl)ethoxy]ethanol

C11H23NO2S — CID 111490067

IUPAC2-[2-(2-propan-2-ylthiomorpholin-4-yl)ethoxy]ethanol
SMILESCC(C)C1CN(CCOCCO)CCS1
InChIInChI=1S/C11H23NO2S/c1-10(2)11-9-12(4-8-15-11)3-6-14-7-5-13/h10-11,13H,3-9H2,1-2H3
InChIKeyXYXHQVWSAPDTLN-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.07
Rot. Bonds6

About 2-[2-(2-propan-2-ylthiomorpholin-4-yl)ethoxy]ethanol

2-[2-(2-propan-2-ylthiomorpholin-4-yl)ethoxy]ethanol (PubChem CID 111490067) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-[2-(2-propan-2-ylthiomorpholin-4-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-propan-2-ylthiomorpholin-4-yl)ethoxy]ethanol
PubChem CID111490067
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-[2-(2-propan-2-ylthiomorpholin-4-yl)ethoxy]ethanol
SMILESCC(C)C1CN(CCOCCO)CCS1
InChIInChI=1S/C11H23NO2S/c1-10(2)11-9-12(4-8-15-11)3-6-14-7-5-13/h10-11,13H,3-9H2,1-2H3
InChIKeyXYXHQVWSAPDTLN-UHFFFAOYSA-N
XLogP1.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.07
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

2-[2-(2-methylthiomorpholin-4-yl)ethoxy]ethanol
CID 115642502
4-[(2S)-2-propan-2-ylthiomorpholin-4-yl]butanoic acid
CID 124607987
1-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]ethanol
CID 103684371
2-[2-(4-amino-3-ethylpiperidin-1-yl)ethoxy]ethanol
CID 81460608
2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]ethanol
CID 103536895
(4S)-4-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]piperidin-3-ol
CID 70949471
2-(2-pyrrolidin-1-ylethoxy)ethanol
CID 10080651
2-[2-(3-aminoazetidin-1-yl)ethoxy]ethanol
CID 63761317
1-[2-(2-hydroxyethoxy)ethyl]piperidine-3-carboxylic acid
CID 61070324
2-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]ethanol
CID 61069984
2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethanol
CID 62994663
2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanol
CID 62358329

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-propan-2-ylthiomorpholin-4-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-propan-2-ylthiomorpholin-4-yl)ethoxy]ethanol (CID 111490067) is 2-[2-(2-propan-2-ylthiomorpholin-4-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-propan-2-ylthiomorpholin-4-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-propan-2-ylthiomorpholin-4-yl)ethoxy]ethanol is CC(C)C1CN(CCOCCO)CCS1.
What is the InChIKey of 2-[2-(2-propan-2-ylthiomorpholin-4-yl)ethoxy]ethanol?
The InChIKey is XYXHQVWSAPDTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-10(2)11-9-12(4-8-15-11)3-6-14-7-5-13/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 2-[2-(2-propan-2-ylthiomorpholin-4-yl)ethoxy]ethanol?
2-[2-(2-propan-2-ylthiomorpholin-4-yl)ethoxy]ethanol has a molecular weight of 233.38 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-propan-2-ylthiomorpholin-4-yl)ethoxy]ethanol is sourced from PubChem (CID 111490067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).