methyl 2-methyl-3-[(4-methylmorpholin-2-yl)methylsulfonyl]propanoate

C11H21NO5S — CID 79171422

IUPACmethyl 2-methyl-3-[(4-methylmorpholin-2-yl)methylsulfonyl]propanoate
SMILESCOC(=O)C(C)CS(=O)(=O)CC1CN(C)CCO1
InChIInChI=1S/C11H21NO5S/c1-9(11(13)16-3)7-18(14,15)8-10-6-12(2)4-5-17-10/h9-10H,4-8H2,1-3H3
InChIKeyODBNKZZPFPUKME-UHFFFAOYSA-N
MW279.36 g/mol
LogP-0.46
Rot. Bonds5

About methyl 2-methyl-3-[(4-methylmorpholin-2-yl)methylsulfonyl]propanoate

methyl 2-methyl-3-[(4-methylmorpholin-2-yl)methylsulfonyl]propanoate (PubChem CID 79171422) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is methyl 2-methyl-3-[(4-methylmorpholin-2-yl)methylsulfonyl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(4-methylmorpholin-2-yl)methylsulfonyl]propanoate
PubChem CID79171422
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Namemethyl 2-methyl-3-[(4-methylmorpholin-2-yl)methylsulfonyl]propanoate
SMILESCOC(=O)C(C)CS(=O)(=O)CC1CN(C)CCO1
InChIInChI=1S/C11H21NO5S/c1-9(11(13)16-3)7-18(14,15)8-10-6-12(2)4-5-17-10/h9-10H,4-8H2,1-3H3
InChIKeyODBNKZZPFPUKME-UHFFFAOYSA-N
XLogP-0.46
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(2-ethylmorpholin-4-yl)-2-methylpropanoate
CID 43562855
3-[(4-methylmorpholin-2-yl)methylsulfonyl]propan-1-amine
CID 81187926
methyl 2-bromo-3-[(4-methylmorpholin-2-yl)methylamino]propanoate
CID 103255442
2-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945177
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate
CID 112617409
methyl 3-(3,4-dihydro-1H-isochromen-1-ylmethylsulfonyl)-2-methylpropanoate
CID 66112919
methyl 3-(2-ethylmorpholin-4-yl)-2-methylbutanoate
CID 79406097
O-[(4-methylmorpholin-2-yl)methyl]hydroxylamine
CID 79427912
2-[(4-methylmorpholin-2-yl)methylamino]propanoic acid
CID 78967405
2-[(4-methylmorpholin-2-yl)methylsulfamoyl]propanethioamide
CID 79072297
methyl 3-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]propanoate
CID 78945334

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(4-methylmorpholin-2-yl)methylsulfonyl]propanoate?
The IUPAC name of methyl 2-methyl-3-[(4-methylmorpholin-2-yl)methylsulfonyl]propanoate (CID 79171422) is methyl 2-methyl-3-[(4-methylmorpholin-2-yl)methylsulfonyl]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[(4-methylmorpholin-2-yl)methylsulfonyl]propanoate?
The canonical SMILES for methyl 2-methyl-3-[(4-methylmorpholin-2-yl)methylsulfonyl]propanoate is COC(=O)C(C)CS(=O)(=O)CC1CN(C)CCO1.
What is the InChIKey of methyl 2-methyl-3-[(4-methylmorpholin-2-yl)methylsulfonyl]propanoate?
The InChIKey is ODBNKZZPFPUKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-9(11(13)16-3)7-18(14,15)8-10-6-12(2)4-5-17-10/h9-10H,4-8H2,1-3H3.
What are the key properties of methyl 2-methyl-3-[(4-methylmorpholin-2-yl)methylsulfonyl]propanoate?
methyl 2-methyl-3-[(4-methylmorpholin-2-yl)methylsulfonyl]propanoate has a molecular weight of 279.36 g/mol, XLogP of -0.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[(4-methylmorpholin-2-yl)methylsulfonyl]propanoate is sourced from PubChem (CID 79171422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).