2-[4-(2-methoxyethyl)thiomorpholin-3-yl]acetic acid

C9H17NO3S — CID 66444150

IUPAC2-[4-(2-methoxyethyl)thiomorpholin-3-yl]acetic acid
SMILESCOCCN1CCSCC1CC(=O)O
InChIInChI=1S/C9H17NO3S/c1-13-4-2-10-3-5-14-7-8(10)6-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyITYQKUMGMZTPCG-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.52
Rot. Bonds5

About 2-[4-(2-methoxyethyl)thiomorpholin-3-yl]acetic acid

2-[4-(2-methoxyethyl)thiomorpholin-3-yl]acetic acid (PubChem CID 66444150) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-[4-(2-methoxyethyl)thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methoxyethyl)thiomorpholin-3-yl]acetic acid
PubChem CID66444150
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name2-[4-(2-methoxyethyl)thiomorpholin-3-yl]acetic acid
SMILESCOCCN1CCSCC1CC(=O)O
InChIInChI=1S/C9H17NO3S/c1-13-4-2-10-3-5-14-7-8(10)6-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyITYQKUMGMZTPCG-UHFFFAOYSA-N
XLogP0.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethyl)thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(2-methoxyethyl)thiomorpholin-3-yl]acetic acid (CID 66444150) is 2-[4-(2-methoxyethyl)thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methoxyethyl)thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methoxyethyl)thiomorpholin-3-yl]acetic acid is COCCN1CCSCC1CC(=O)O.
What is the InChIKey of 2-[4-(2-methoxyethyl)thiomorpholin-3-yl]acetic acid?
The InChIKey is ITYQKUMGMZTPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-13-4-2-10-3-5-14-7-8(10)6-9(11)12/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 2-[4-(2-methoxyethyl)thiomorpholin-3-yl]acetic acid?
2-[4-(2-methoxyethyl)thiomorpholin-3-yl]acetic acid has a molecular weight of 219.31 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethyl)thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 66444150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).