2-hydroxy-1-thiomorpholin-4-ylethanone

C6H11NO2S — CID 89034079

IUPAC2-hydroxy-1-thiomorpholin-4-ylethanone
SMILESO=C(CO)N1CCSCC1
InChIInChI=1S/C6H11NO2S/c8-5-6(9)7-1-3-10-4-2-7/h8H,1-5H2
InChIKeyOBQBLHWJLAGIHN-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.45
Rot. Bonds1

About 2-hydroxy-1-thiomorpholin-4-ylethanone

2-hydroxy-1-thiomorpholin-4-ylethanone (PubChem CID 89034079) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 2-hydroxy-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-hydroxy-1-thiomorpholin-4-ylethanone
PubChem CID89034079
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name2-hydroxy-1-thiomorpholin-4-ylethanone
SMILESO=C(CO)N1CCSCC1
InChIInChI=1S/C6H11NO2S/c8-5-6(9)7-1-3-10-4-2-7/h8H,1-5H2
InChIKeyOBQBLHWJLAGIHN-UHFFFAOYSA-N
XLogP-0.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-hydroxy-1-thiomorpholin-4-ylethanone (CID 89034079) is 2-hydroxy-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-hydroxy-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-hydroxy-1-thiomorpholin-4-ylethanone is O=C(CO)N1CCSCC1.
What is the InChIKey of 2-hydroxy-1-thiomorpholin-4-ylethanone?
The InChIKey is OBQBLHWJLAGIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c8-5-6(9)7-1-3-10-4-2-7/h8H,1-5H2.
What are the key properties of 2-hydroxy-1-thiomorpholin-4-ylethanone?
2-hydroxy-1-thiomorpholin-4-ylethanone has a molecular weight of 161.23 g/mol, XLogP of -0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 89034079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).