(2R)-2-hydroxy-1-(2-methylthiomorpholin-4-yl)-2-phenylethanone

C13H17NO2S — CID 75514533

IUPAC(2R)-2-hydroxy-1-(2-methylthiomorpholin-4-yl)-2-phenylethanone
SMILESCC1CN(C(=O)[C@H](O)c2ccccc2)CCS1
InChIInChI=1S/C13H17NO2S/c1-10-9-14(7-8-17-10)13(16)12(15)11-5-3-2-4-6-11/h2-6,10,12,15H,7-9H2,1H3/t10?,12-/m1/s1
InChIKeyBGODOPNWJVTKGD-TVKKRMFBSA-N
MW251.35 g/mol
LogP1.68
Rot. Bonds2

About (2R)-2-hydroxy-1-(2-methylthiomorpholin-4-yl)-2-phenylethanone

(2R)-2-hydroxy-1-(2-methylthiomorpholin-4-yl)-2-phenylethanone (PubChem CID 75514533) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is (2R)-2-hydroxy-1-(2-methylthiomorpholin-4-yl)-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-hydroxy-1-(2-methylthiomorpholin-4-yl)-2-phenylethanone
PubChem CID75514533
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name(2R)-2-hydroxy-1-(2-methylthiomorpholin-4-yl)-2-phenylethanone
SMILESCC1CN(C(=O)[C@H](O)c2ccccc2)CCS1
InChIInChI=1S/C13H17NO2S/c1-10-9-14(7-8-17-10)13(16)12(15)11-5-3-2-4-6-11/h2-6,10,12,15H,7-9H2,1H3/t10?,12-/m1/s1
InChIKeyBGODOPNWJVTKGD-TVKKRMFBSA-N
XLogP1.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-1-(2-methylthiomorpholin-4-yl)-2-phenylethanone?
The IUPAC name of (2R)-2-hydroxy-1-(2-methylthiomorpholin-4-yl)-2-phenylethanone (CID 75514533) is (2R)-2-hydroxy-1-(2-methylthiomorpholin-4-yl)-2-phenylethanone.
What is the SMILES notation for (2R)-2-hydroxy-1-(2-methylthiomorpholin-4-yl)-2-phenylethanone?
The canonical SMILES for (2R)-2-hydroxy-1-(2-methylthiomorpholin-4-yl)-2-phenylethanone is CC1CN(C(=O)[C@H](O)c2ccccc2)CCS1.
What is the InChIKey of (2R)-2-hydroxy-1-(2-methylthiomorpholin-4-yl)-2-phenylethanone?
The InChIKey is BGODOPNWJVTKGD-TVKKRMFBSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-10-9-14(7-8-17-10)13(16)12(15)11-5-3-2-4-6-11/h2-6,10,12,15H,7-9H2,1H3/t10?,12-/m1/s1.
What are the key properties of (2R)-2-hydroxy-1-(2-methylthiomorpholin-4-yl)-2-phenylethanone?
(2R)-2-hydroxy-1-(2-methylthiomorpholin-4-yl)-2-phenylethanone has a molecular weight of 251.35 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-1-(2-methylthiomorpholin-4-yl)-2-phenylethanone is sourced from PubChem (CID 75514533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).