3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-1H-pyridin-4-one

C11H16N2O5S — CID 102934020

IUPAC3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-1H-pyridin-4-one
SMILESCC1CN(S(=O)(=O)c2c[nH]ccc2=O)CC(CO)O1
InChIInChI=1S/C11H16N2O5S/c1-8-5-13(6-9(7-14)18-8)19(16,17)11-4-12-3-2-10(11)15/h2-4,8-9,14H,5-7H2,1H3,(H,12,15)
InChIKeySYNGTYLRPCYPSQ-UHFFFAOYSA-N
MW288.32 g/mol
LogP-0.85
Rot. Bonds3

About 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-1H-pyridin-4-one

3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-1H-pyridin-4-one (PubChem CID 102934020) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-1H-pyridin-4-one
PubChem CID102934020
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-1H-pyridin-4-one
SMILESCC1CN(S(=O)(=O)c2c[nH]ccc2=O)CC(CO)O1
InChIInChI=1S/C11H16N2O5S/c1-8-5-13(6-9(7-14)18-8)19(16,17)11-4-12-3-2-10(11)15/h2-4,8-9,14H,5-7H2,1H3,(H,12,15)
InChIKeySYNGTYLRPCYPSQ-UHFFFAOYSA-N
XLogP-0.85
TPSA99.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-1H-pyridin-4-one
CID 81208935
[4-(2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934895
[4-(2-amino-4,5-dimethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931863
[4-(2-hydrazinylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102933332
[4-(4-ethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934850
[4-(2-amino-5-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931866
[4-(4-amino-2-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931874
4-chloro-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonylbenzonitrile
CID 102932848
[4-(2,6-difluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934845
[4-(4-amino-2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931832
(4-ethylsulfonyl-6-methylmorpholin-2-yl)methanol
CID 102934875
3-chloro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonylbenzonitrile
CID 102932852

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-1H-pyridin-4-one?
The IUPAC name of 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-1H-pyridin-4-one (CID 102934020) is 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-1H-pyridin-4-one.
What is the SMILES notation for 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-1H-pyridin-4-one?
The canonical SMILES for 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-1H-pyridin-4-one is CC1CN(S(=O)(=O)c2c[nH]ccc2=O)CC(CO)O1.
What is the InChIKey of 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-1H-pyridin-4-one?
The InChIKey is SYNGTYLRPCYPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-8-5-13(6-9(7-14)18-8)19(16,17)11-4-12-3-2-10(11)15/h2-4,8-9,14H,5-7H2,1H3,(H,12,15).
What are the key properties of 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-1H-pyridin-4-one?
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-1H-pyridin-4-one has a molecular weight of 288.32 g/mol, XLogP of -0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-1H-pyridin-4-one is sourced from PubChem (CID 102934020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).