methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylacetate

C10H19NO6S — CID 114779073

IUPACmethyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C10H19NO6S/c1-10(2)7-11(4-8(5-12)17-10)18(14,15)6-9(13)16-3/h8,12H,4-7H2,1-3H3
InChIKeySPBSZXUAZFQPMK-UHFFFAOYSA-N
MW281.33 g/mol
LogP-1.04
Rot. Bonds4

About methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylacetate

methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylacetate (PubChem CID 114779073) has the molecular formula C10H19NO6S and a molecular weight of 281.33 g/mol. Its IUPAC name is methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylacetate.

Molecular Properties

Compound Namemethyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylacetate
PubChem CID114779073
Molecular FormulaC10H19NO6S
Molecular Weight281.33 g/mol
Exact Mass281.09
IUPAC Namemethyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C10H19NO6S/c1-10(2)7-11(4-8(5-12)17-10)18(14,15)6-9(13)16-3/h8,12H,4-7H2,1-3H3
InChIKeySPBSZXUAZFQPMK-UHFFFAOYSA-N
XLogP-1.04
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6,6-Dimethyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol
CID 114779137
(4-Propan-2-ylsulfonylmorpholin-2-yl)methanol
CID 81219014
Ethyl 2-hydroxy-3-morpholin-4-ylsulfonylpropanoate
CID 10445686
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpropanoic acid
CID 28773475
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylacetic acid
CID 28773487
3-(2,6-Dimethylmorpholin-4-yl)sulfonylpropanoic acid
CID 43209517
2-(2,6-Dimethylmorpholin-4-yl)sulfonylacetic acid
CID 43209519
3-(2-Methylmorpholin-4-yl)sulfonylpropanoic acid
CID 43209522
3-(2-Ethylmorpholin-4-yl)sulfonylpropanoic acid
CID 43562581
2-(2,2-Dimethylmorpholin-4-yl)sulfonylacetic acid
CID 43592592
4-(2,2-Dimethylmorpholin-4-yl)sulfonylbutanoic acid
CID 43592598
3-(2,2-Dimethylmorpholin-4-yl)sulfonylpropanoic acid
CID 43592599

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylacetate?
The IUPAC name of methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylacetate (CID 114779073) is methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylacetate.
What is the SMILES notation for methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylacetate?
The canonical SMILES for methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylacetate is COC(=O)CS(=O)(=O)N1CC(CO)OC(C)(C)C1.
What is the InChIKey of methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylacetate?
The InChIKey is SPBSZXUAZFQPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6S/c1-10(2)7-11(4-8(5-12)17-10)18(14,15)6-9(13)16-3/h8,12H,4-7H2,1-3H3.
What are the key properties of methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylacetate?
methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylacetate has a molecular weight of 281.33 g/mol, XLogP of -1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylacetate is sourced from PubChem (CID 114779073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).