1-[2-(hydroxymethyl)morpholin-4-yl]-2-methyl-2-methylsulfonylpropan-1-one

C10H19NO5S — CID 81209184

IUPAC1-[2-(hydroxymethyl)morpholin-4-yl]-2-methyl-2-methylsulfonylpropan-1-one
SMILESCC(C)(C(=O)N1CCOC(CO)C1)S(C)(=O)=O
InChIInChI=1S/C10H19NO5S/c1-10(2,17(3,14)15)9(13)11-4-5-16-8(6-11)7-12/h8,12H,4-7H2,1-3H3
InChIKeyFXGBADZTPROPRS-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.97
Rot. Bonds3

About 1-[2-(hydroxymethyl)morpholin-4-yl]-2-methyl-2-methylsulfonylpropan-1-one

1-[2-(hydroxymethyl)morpholin-4-yl]-2-methyl-2-methylsulfonylpropan-1-one (PubChem CID 81209184) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)morpholin-4-yl]-2-methyl-2-methylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)morpholin-4-yl]-2-methyl-2-methylsulfonylpropan-1-one
PubChem CID81209184
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name1-[2-(hydroxymethyl)morpholin-4-yl]-2-methyl-2-methylsulfonylpropan-1-one
SMILESCC(C)(C(=O)N1CCOC(CO)C1)S(C)(=O)=O
InChIInChI=1S/C10H19NO5S/c1-10(2,17(3,14)15)9(13)11-4-5-16-8(6-11)7-12/h8,12H,4-7H2,1-3H3
InChIKeyFXGBADZTPROPRS-UHFFFAOYSA-N
XLogP-0.97
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(hydroxymethyl)morpholin-4-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 82820748
2-fluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
CID 130165226
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
2-amino-3,3,3-trifluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
CID 81202845
2-(tert-butylamino)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81202840
1-[2-(bromomethyl)morpholin-4-yl]-2,2-dimethylpropan-1-one
CID 81211878
2-bromo-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81203713
1-[(2R)-2-ethylmorpholin-4-yl]-2,2-dimethylpropan-1-one
CID 166684101
2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 81204121
cyclopropyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208707
1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone
CID 81208943
[2-(hydroxymethyl)morpholin-4-yl]-(2-methylcyclopropyl)methanone
CID 81208013

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-methyl-2-methylsulfonylpropan-1-one?
The IUPAC name of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-methyl-2-methylsulfonylpropan-1-one (CID 81209184) is 1-[2-(hydroxymethyl)morpholin-4-yl]-2-methyl-2-methylsulfonylpropan-1-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-methyl-2-methylsulfonylpropan-1-one?
The canonical SMILES for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-methyl-2-methylsulfonylpropan-1-one is CC(C)(C(=O)N1CCOC(CO)C1)S(C)(=O)=O.
What is the InChIKey of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-methyl-2-methylsulfonylpropan-1-one?
The InChIKey is FXGBADZTPROPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-10(2,17(3,14)15)9(13)11-4-5-16-8(6-11)7-12/h8,12H,4-7H2,1-3H3.
What are the key properties of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-methyl-2-methylsulfonylpropan-1-one?
1-[2-(hydroxymethyl)morpholin-4-yl]-2-methyl-2-methylsulfonylpropan-1-one has a molecular weight of 265.33 g/mol, XLogP of -0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-methyl-2-methylsulfonylpropan-1-one is sourced from PubChem (CID 81209184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).