ethyl 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylpropanoate

C12H23NO6S — CID 114779075

IUPACethyl 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylpropanoate
SMILESCCOC(=O)CCS(=O)(=O)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C12H23NO6S/c1-4-18-11(15)5-6-20(16,17)13-7-10(8-14)19-12(2,3)9-13/h10,14H,4-9H2,1-3H3
InChIKeyYWOAURQNGMPVMR-UHFFFAOYSA-N
MW309.38 g/mol
LogP-0.26
Rot. Bonds6

About ethyl 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylpropanoate

ethyl 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylpropanoate (PubChem CID 114779075) has the molecular formula C12H23NO6S and a molecular weight of 309.38 g/mol. Its IUPAC name is ethyl 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylpropanoate.

Molecular Properties

Compound Nameethyl 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylpropanoate
PubChem CID114779075
Molecular FormulaC12H23NO6S
Molecular Weight309.38 g/mol
Exact Mass309.12
IUPAC Nameethyl 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylpropanoate
SMILESCCOC(=O)CCS(=O)(=O)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C12H23NO6S/c1-4-18-11(15)5-6-20(16,17)13-7-10(8-14)19-12(2,3)9-13/h10,14H,4-9H2,1-3H3
InChIKeyYWOAURQNGMPVMR-UHFFFAOYSA-N
XLogP-0.26
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol
CID 114779112
methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylacetate
CID 114779073
[6,6-dimethyl-4-(2-piperidin-4-ylethylsulfonyl)morpholin-2-yl]methanol
CID 114777054
propan-2-yl N-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylcarbamate
CID 114779182
[6,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholin-2-yl]methanol
CID 114779174
6-(chloromethyl)-2,2-dimethyl-4-(3-methylbutylsulfonyl)morpholine
CID 114781797
ethyl 3-[4-methyl-4-(methylamino)piperidin-1-yl]sulfonylpropanoate
CID 115304847
ethyl 3-(4-amino-3-ethylpiperidin-1-yl)sulfonylpropanoate
CID 81456891
[6,6-dimethyl-4-(5-methylthiophen-2-yl)sulfonylmorpholin-2-yl]methanol
CID 114779103
[4-(5-chloro-2-methylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114779155
5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
CID 114776516
[4-(2-methoxyphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114779082

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylpropanoate?
The IUPAC name of ethyl 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylpropanoate (CID 114779075) is ethyl 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylpropanoate.
What is the SMILES notation for ethyl 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylpropanoate?
The canonical SMILES for ethyl 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylpropanoate is CCOC(=O)CCS(=O)(=O)N1CC(CO)OC(C)(C)C1.
What is the InChIKey of ethyl 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylpropanoate?
The InChIKey is YWOAURQNGMPVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO6S/c1-4-18-11(15)5-6-20(16,17)13-7-10(8-14)19-12(2,3)9-13/h10,14H,4-9H2,1-3H3.
What are the key properties of ethyl 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylpropanoate?
ethyl 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylpropanoate has a molecular weight of 309.38 g/mol, XLogP of -0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylpropanoate is sourced from PubChem (CID 114779075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).