(5S)-5-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one

C16H22N2O2S — CID 100910145

IUPAC(5S)-5-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(C[C@H]2CN(c3ccccc3)C(=O)O2)C[C@H](C)S1
InChIInChI=1S/C16H22N2O2S/c1-12-8-17(9-13(2)21-12)10-15-11-18(16(19)20-15)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3/t12-,13+,15-/m0/s1
InChIKeyDPSOSDJIIVAFLP-GUTXKFCHSA-N
MW306.43 g/mol
LogP2.84
Rot. Bonds3

About (5S)-5-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one

(5S)-5-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 100910145) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is (5S)-5-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one
PubChem CID100910145
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name(5S)-5-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1CN(C[C@H]2CN(c3ccccc3)C(=O)O2)C[C@H](C)S1
InChIInChI=1S/C16H22N2O2S/c1-12-8-17(9-13(2)21-12)10-15-11-18(16(19)20-15)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3/t12-,13+,15-/m0/s1
InChIKeyDPSOSDJIIVAFLP-GUTXKFCHSA-N
XLogP2.84
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S)-5-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-phenyl-5-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3-oxazolidin-2-one
CID 56793240
(5R)-5-(chloromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 11310370
5-(fluoromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 555364
5-benzyl-3-phenyl-1,3-oxazolidin-2-one
CID 21393580
5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 117063703
tert-butyl 4-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]piperazine-1-carboxylate
CID 99646556
5-(2-aminoethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 15117126
5-[(3-methyl-6-oxopyridazin-1-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 86795311
5-[(5-methyltetrazol-1-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 86792135
5-dodecyl-3-phenyl-1,3-oxazolidin-2-one
CID 23270939
N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 51453772
5-[2-[2-[2-[2-[2-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-3-phenyl-1,3-oxazolidin-2-one
CID 16754539

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one (CID 100910145) is (5S)-5-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one is C[C@@H]1CN(C[C@H]2CN(c3ccccc3)C(=O)O2)C[C@H](C)S1.
What is the InChIKey of (5S)-5-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is DPSOSDJIIVAFLP-GUTXKFCHSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-12-8-17(9-13(2)21-12)10-15-11-18(16(19)20-15)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3/t12-,13+,15-/m0/s1.
What are the key properties of (5S)-5-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one?
(5S)-5-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 306.43 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 100910145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).