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

C10H14N2O5S — CID 81208935

IUPAC3-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-1H-pyridin-4-one
SMILESO=c1cc[nH]cc1S(=O)(=O)N1CCOC(CO)C1
InChIInChI=1S/C10H14N2O5S/c13-7-8-6-12(3-4-17-8)18(15,16)10-5-11-2-1-9(10)14/h1-2,5,8,13H,3-4,6-7H2,(H,11,14)
InChIKeyLOSVQVIQSOVQPX-UHFFFAOYSA-N
MW274.30 g/mol
LogP-1.24
Rot. Bonds3

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

3-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-1H-pyridin-4-one (PubChem CID 81208935) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-1H-pyridin-4-one
PubChem CID81208935
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Name3-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-1H-pyridin-4-one
SMILESO=c1cc[nH]cc1S(=O)(=O)N1CCOC(CO)C1
InChIInChI=1S/C10H14N2O5S/c13-7-8-6-12(3-4-17-8)18(15,16)10-5-11-2-1-9(10)14/h1-2,5,8,13H,3-4,6-7H2,(H,11,14)
InChIKeyLOSVQVIQSOVQPX-UHFFFAOYSA-N
XLogP-1.24
TPSA99.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-1H-pyridin-4-one
CID 102934020
4-[(4-oxo-1H-pyridin-3-yl)sulfonyl]morpholine-2-carbonitrile
CID 79676932
[4-(2,4-dibromophenyl)sulfonylmorpholin-2-yl]methanol
CID 81219809
[4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanol
CID 81208839
[4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanol
CID 102693223
[4-(4-amino-2-chlorophenyl)sulfonylmorpholin-2-yl]methanol
CID 81206052
2-[2-(hydroxymethyl)morpholin-4-yl]sulfonylbenzenecarbothioamide
CID 81202964
[4-(2-chloro-5-nitrophenyl)sulfonylmorpholin-2-yl]methanol
CID 81193435
3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-4-one
CID 64597440
[4-[[2-(methylamino)-3-pyridinyl]sulfonyl]morpholin-2-yl]methanol
CID 81213010
[4-(5-amino-4-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 114625968
[4-(4-fluoro-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol
CID 81208677

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-1H-pyridin-4-one?
The IUPAC name of 3-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-1H-pyridin-4-one (CID 81208935) is 3-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-1H-pyridin-4-one.
What is the SMILES notation for 3-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-1H-pyridin-4-one?
The canonical SMILES for 3-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-1H-pyridin-4-one is O=c1cc[nH]cc1S(=O)(=O)N1CCOC(CO)C1.
What is the InChIKey of 3-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-1H-pyridin-4-one?
The InChIKey is LOSVQVIQSOVQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c13-7-8-6-12(3-4-17-8)18(15,16)10-5-11-2-1-9(10)14/h1-2,5,8,13H,3-4,6-7H2,(H,11,14).
What are the key properties of 3-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-1H-pyridin-4-one?
3-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-1H-pyridin-4-one has a molecular weight of 274.30 g/mol, XLogP of -1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-1H-pyridin-4-one is sourced from PubChem (CID 81208935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).