2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone

C12H22N2O5S — CID 102932565

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
SMILESCC1CN(C(=O)CC2CS(=O)(=O)CCN2)CC(CO)O1
InChIInChI=1S/C12H22N2O5S/c1-9-5-14(6-11(7-15)19-9)12(16)4-10-8-20(17,18)3-2-13-10/h9-11,13,15H,2-8H2,1H3
InChIKeyVMLLWVNNGZPRKF-UHFFFAOYSA-N
MW306.38 g/mol
LogP-1.63
Rot. Bonds3

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone

2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone (PubChem CID 102932565) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
PubChem CID102932565
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
SMILESCC1CN(C(=O)CC2CS(=O)(=O)CCN2)CC(CO)O1
InChIInChI=1S/C12H22N2O5S/c1-9-5-14(6-11(7-15)19-9)12(16)4-10-8-20(17,18)3-2-13-10/h9-11,13,15H,2-8H2,1H3
InChIKeyVMLLWVNNGZPRKF-UHFFFAOYSA-N
XLogP-1.63
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone with MolForge

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-piperazin-1-ylethanone
CID 80519969
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-pyrrolidin-1-ylethanone
CID 80520589
[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]methanol
CID 91666874
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyrrolidin-2-ylethanone
CID 104958689
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 80519951
1-(2,5-dimethylpiperidin-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone
CID 80520954
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107216959
1-(1,3-dihydroisoindol-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone
CID 80520763
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(propan-2-ylamino)ethanone
CID 102932666
5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102938984
4-[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]piperazin-2-one
CID 80519900

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone (CID 102932565) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone is CC1CN(C(=O)CC2CS(=O)(=O)CCN2)CC(CO)O1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone?
The InChIKey is VMLLWVNNGZPRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-9-5-14(6-11(7-15)19-9)12(16)4-10-8-20(17,18)3-2-13-10/h9-11,13,15H,2-8H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone has a molecular weight of 306.38 g/mol, XLogP of -1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone is sourced from PubChem (CID 102932565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).