2,2,5,5-tetramethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-one

C14H25NO4S — CID 102886464

IUPAC2,2,5,5-tetramethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-one
SMILESCC1CS(=O)(=O)CCN1CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C14H25NO4S/c1-10-9-20(17,18)7-6-15(10)8-11-12(16)14(4,5)19-13(11,2)3/h10-11H,6-9H2,1-5H3
InChIKeyJMYWVSMCKXZQID-UHFFFAOYSA-N
MW303.42 g/mol
LogP0.88
Rot. Bonds2

About 2,2,5,5-tetramethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-one

2,2,5,5-tetramethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-one (PubChem CID 102886464) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-one.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-one
PubChem CID102886464
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Name2,2,5,5-tetramethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-one
SMILESCC1CS(=O)(=O)CCN1CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C14H25NO4S/c1-10-9-20(17,18)7-6-15(10)8-11-12(16)14(4,5)19-13(11,2)3/h10-11H,6-9H2,1-5H3
InChIKeyJMYWVSMCKXZQID-UHFFFAOYSA-N
XLogP0.88
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,2,5,5-tetramethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-one?
The IUPAC name of 2,2,5,5-tetramethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-one (CID 102886464) is 2,2,5,5-tetramethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-one.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-one?
The canonical SMILES for 2,2,5,5-tetramethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-one is CC1CS(=O)(=O)CCN1CC1C(=O)C(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-one?
The InChIKey is JMYWVSMCKXZQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4S/c1-10-9-20(17,18)7-6-15(10)8-11-12(16)14(4,5)19-13(11,2)3/h10-11H,6-9H2,1-5H3.
What are the key properties of 2,2,5,5-tetramethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-one?
2,2,5,5-tetramethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-one has a molecular weight of 303.42 g/mol, XLogP of 0.88, 2 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-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-one is sourced from PubChem (CID 102886464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).