5-hydroxy-4-methylthiomorpholin-3-one

C5H9NO2S — CID 13474375

IUPAC5-hydroxy-4-methylthiomorpholin-3-one
SMILESCN1C(=O)CSCC1O
InChIInChI=1S/C5H9NO2S/c1-6-4(7)2-9-3-5(6)8/h4,7H,2-3H2,1H3
InChIKeyWVAFUMALRVFNHL-UHFFFAOYSA-N
MW147.20 g/mol
LogP-0.49
Rot. Bonds

About 5-hydroxy-4-methylthiomorpholin-3-one

5-hydroxy-4-methylthiomorpholin-3-one (PubChem CID 13474375) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is 5-hydroxy-4-methylthiomorpholin-3-one.

Molecular Properties

Compound Name5-hydroxy-4-methylthiomorpholin-3-one
PubChem CID13474375
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name5-hydroxy-4-methylthiomorpholin-3-one
SMILESCN1C(=O)CSCC1O
InChIInChI=1S/C5H9NO2S/c1-6-4(7)2-9-3-5(6)8/h4,7H,2-3H2,1H3
InChIKeyWVAFUMALRVFNHL-UHFFFAOYSA-N
XLogP-0.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-methylthiomorpholin-3-one?
The IUPAC name of 5-hydroxy-4-methylthiomorpholin-3-one (CID 13474375) is 5-hydroxy-4-methylthiomorpholin-3-one.
What is the SMILES notation for 5-hydroxy-4-methylthiomorpholin-3-one?
The canonical SMILES for 5-hydroxy-4-methylthiomorpholin-3-one is CN1C(=O)CSCC1O.
What is the InChIKey of 5-hydroxy-4-methylthiomorpholin-3-one?
The InChIKey is WVAFUMALRVFNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-6-4(7)2-9-3-5(6)8/h4,7H,2-3H2,1H3.
What are the key properties of 5-hydroxy-4-methylthiomorpholin-3-one?
5-hydroxy-4-methylthiomorpholin-3-one has a molecular weight of 147.20 g/mol, XLogP of -0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-methylthiomorpholin-3-one is sourced from PubChem (CID 13474375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).