2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone

C14H25NO4S — CID 114624690

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
SMILESCC1(C)CC(C(=O)CC2CS(=O)(=O)CCN2)C(C)(C)O1
InChIInChI=1S/C14H25NO4S/c1-13(2)8-11(14(3,4)19-13)12(16)7-10-9-20(17,18)6-5-15-10/h10-11,15H,5-9H2,1-4H3
InChIKeyQDHVYSIITIAKFI-UHFFFAOYSA-N
MW303.42 g/mol
LogP0.93
Rot. Bonds3

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone

2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone (PubChem CID 114624690) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
PubChem CID114624690
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
SMILESCC1(C)CC(C(=O)CC2CS(=O)(=O)CCN2)C(C)(C)O1
InChIInChI=1S/C14H25NO4S/c1-13(2)8-11(14(3,4)19-13)12(16)7-10-9-20(17,18)6-5-15-10/h10-11,15H,5-9H2,1-4H3
InChIKeyQDHVYSIITIAKFI-UHFFFAOYSA-N
XLogP0.93
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone (CID 114624690) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone is CC1(C)CC(C(=O)CC2CS(=O)(=O)CCN2)C(C)(C)O1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone?
The InChIKey is QDHVYSIITIAKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4S/c1-13(2)8-11(14(3,4)19-13)12(16)7-10-9-20(17,18)6-5-15-10/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone has a molecular weight of 303.42 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone is sourced from PubChem (CID 114624690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).