4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one

C15H27NO2S — CID 79934753

IUPAC4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1CN(CC2C(=O)C(C)(C)OC2(C)C)CC(C)S1
InChIInChI=1S/C15H27NO2S/c1-10-7-16(8-11(2)19-10)9-12-13(17)15(5,6)18-14(12,3)4/h10-12H,7-9H2,1-6H3
InChIKeyGXDWXVIIOKQONG-UHFFFAOYSA-N
MW285.45 g/mol
LogP2.58
Rot. Bonds2

About 4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one

4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 79934753) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is 4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one
PubChem CID79934753
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC Name4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1CN(CC2C(=O)C(C)(C)OC2(C)C)CC(C)S1
InChIInChI=1S/C15H27NO2S/c1-10-7-16(8-11(2)19-10)9-12-13(17)15(5,6)18-14(12,3)4/h10-12H,7-9H2,1-6H3
InChIKeyGXDWXVIIOKQONG-UHFFFAOYSA-N
XLogP2.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of 4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one (CID 79934753) is 4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for 4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for 4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one is CC1CN(CC2C(=O)C(C)(C)OC2(C)C)CC(C)S1.
What is the InChIKey of 4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is GXDWXVIIOKQONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-10-7-16(8-11(2)19-10)9-12-13(17)15(5,6)18-14(12,3)4/h10-12H,7-9H2,1-6H3.
What are the key properties of 4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one?
4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 285.45 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 79934753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).