[6,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholin-2-yl]methanol

C12H20N2O5S — CID 114779174

IUPAC[6,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholin-2-yl]methanol
SMILESCc1cc(CS(=O)(=O)N2CC(CO)OC(C)(C)C2)no1
InChIInChI=1S/C12H20N2O5S/c1-9-4-10(13-19-9)7-20(16,17)14-5-11(6-15)18-12(2,3)8-14/h4,11,15H,5-8H2,1-3H3
InChIKeyJFGYECHPUUVUPL-UHFFFAOYSA-N
MW304.37 g/mol
LogP0.28
Rot. Bonds4

About [6,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholin-2-yl]methanol

[6,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholin-2-yl]methanol (PubChem CID 114779174) has the molecular formula C12H20N2O5S and a molecular weight of 304.37 g/mol. Its IUPAC name is [6,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[6,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholin-2-yl]methanol
PubChem CID114779174
Molecular FormulaC12H20N2O5S
Molecular Weight304.37 g/mol
Exact Mass304.11
IUPAC Name[6,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholin-2-yl]methanol
SMILESCc1cc(CS(=O)(=O)N2CC(CO)OC(C)(C)C2)no1
InChIInChI=1S/C12H20N2O5S/c1-9-4-10(13-19-9)7-20(16,17)14-5-11(6-15)18-12(2,3)8-14/h4,11,15H,5-8H2,1-3H3
InChIKeyJFGYECHPUUVUPL-UHFFFAOYSA-N
XLogP0.28
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(methoxymethyl)-2,2-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholine
CID 128975302
[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-yl]methanol
CID 62371531
(4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol
CID 114779112
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 114779698
4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidine-4-carboxylic acid
CID 63123907
[4-(4-aminothiophen-2-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114776164
methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylacetate
CID 114779073
4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-amine
CID 103576249
2-[4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperazin-1-yl]ethanol
CID 43501424
[4-(5-chloro-2-methylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114779155
[6,6-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanol
CID 114779120
ethyl 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylpropanoate
CID 114779075

Frequently Asked Questions

What is the IUPAC name of [6,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholin-2-yl]methanol?
The IUPAC name of [6,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholin-2-yl]methanol (CID 114779174) is [6,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholin-2-yl]methanol.
What is the SMILES notation for [6,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholin-2-yl]methanol?
The canonical SMILES for [6,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholin-2-yl]methanol is Cc1cc(CS(=O)(=O)N2CC(CO)OC(C)(C)C2)no1.
What is the InChIKey of [6,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholin-2-yl]methanol?
The InChIKey is JFGYECHPUUVUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S/c1-9-4-10(13-19-9)7-20(16,17)14-5-11(6-15)18-12(2,3)8-14/h4,11,15H,5-8H2,1-3H3.
What are the key properties of [6,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholin-2-yl]methanol?
[6,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholin-2-yl]methanol has a molecular weight of 304.37 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholin-2-yl]methanol is sourced from PubChem (CID 114779174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).