2,2,5,5-tetramethyl-4-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-3-one

C13H25NO4S — CID 79930005

IUPAC2,2,5,5-tetramethyl-4-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-3-one
SMILESCN(CCS(C)(=O)=O)CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C13H25NO4S/c1-12(2)10(11(15)13(3,4)18-12)9-14(5)7-8-19(6,16)17/h10H,7-9H2,1-6H3
InChIKeyVHNSPPFYGPBZSE-UHFFFAOYSA-N
MW291.41 g/mol
LogP0.74
Rot. Bonds5

About 2,2,5,5-tetramethyl-4-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-3-one

2,2,5,5-tetramethyl-4-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-3-one (PubChem CID 79930005) has the molecular formula C13H25NO4S and a molecular weight of 291.41 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-3-one.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-3-one
PubChem CID79930005
Molecular FormulaC13H25NO4S
Molecular Weight291.41 g/mol
Exact Mass291.15
IUPAC Name2,2,5,5-tetramethyl-4-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-3-one
SMILESCN(CCS(C)(=O)=O)CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C13H25NO4S/c1-12(2)10(11(15)13(3,4)18-12)9-14(5)7-8-19(6,16)17/h10H,7-9H2,1-6H3
InChIKeyVHNSPPFYGPBZSE-UHFFFAOYSA-N
XLogP0.74
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-3-one?
The IUPAC name of 2,2,5,5-tetramethyl-4-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-3-one (CID 79930005) is 2,2,5,5-tetramethyl-4-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-3-one.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-3-one?
The canonical SMILES for 2,2,5,5-tetramethyl-4-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-3-one is CN(CCS(C)(=O)=O)CC1C(=O)C(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-4-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-3-one?
The InChIKey is VHNSPPFYGPBZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4S/c1-12(2)10(11(15)13(3,4)18-12)9-14(5)7-8-19(6,16)17/h10H,7-9H2,1-6H3.
What are the key properties of 2,2,5,5-tetramethyl-4-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-3-one?
2,2,5,5-tetramethyl-4-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-3-one has a molecular weight of 291.41 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-4-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-3-one is sourced from PubChem (CID 79930005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).