methyl 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetate

C11H21NO5S — CID 79822188

IUPACmethyl 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(CCCS(C)(=O)=O)CCO1
InChIInChI=1S/C11H21NO5S/c1-16-11(13)8-10-9-12(5-6-17-10)4-3-7-18(2,14)15/h10H,3-9H2,1-2H3
InChIKeyOKFREZWQVMEVKM-UHFFFAOYSA-N
MW279.36 g/mol
LogP-0.31
Rot. Bonds6

About methyl 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetate

methyl 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetate (PubChem CID 79822188) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is methyl 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetate
PubChem CID79822188
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Namemethyl 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(CCCS(C)(=O)=O)CCO1
InChIInChI=1S/C11H21NO5S/c1-16-11(13)8-10-9-12(5-6-17-10)4-3-7-18(2,14)15/h10H,3-9H2,1-2H3
InChIKeyOKFREZWQVMEVKM-UHFFFAOYSA-N
XLogP-0.31
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetic acid
CID 66434056
methyl 2-[4-(5-hydroxypentyl)morpholin-2-yl]acetate
CID 79823228
methyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate
CID 115533916
methyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate
CID 79822697
methyl 2-[4-(4,4,4-trifluorobutyl)morpholin-2-yl]acetate
CID 113331103
methyl 2-(4-pent-4-ynylmorpholin-2-yl)acetate
CID 112548455
methyl 2-[4-(3-cyanopropyl)morpholin-2-yl]acetate
CID 79823047
ethyl 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]hexanoate
CID 79827518
methyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate
CID 114398668
methyl 2-[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]acetate
CID 79823416
methyl 2-[4-(2-thiophen-3-ylethyl)morpholin-2-yl]acetate
CID 79822869
2-(2-ethylmorpholin-4-yl)-N-(2-methylsulfonylethyl)ethanamine
CID 62561719

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetate (CID 79822188) is methyl 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetate is COC(=O)CC1CN(CCCS(C)(=O)=O)CCO1.
What is the InChIKey of methyl 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetate?
The InChIKey is OKFREZWQVMEVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-16-11(13)8-10-9-12(5-6-17-10)4-3-7-18(2,14)15/h10H,3-9H2,1-2H3.
What are the key properties of methyl 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetate?
methyl 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetate has a molecular weight of 279.36 g/mol, XLogP of -0.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetate is sourced from PubChem (CID 79822188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).