methyl 2-[1-(2-methoxyethylsulfonyl)piperidin-2-yl]acetate

C11H21NO5S — CID 55014539

IUPACmethyl 2-[1-(2-methoxyethylsulfonyl)piperidin-2-yl]acetate
SMILESCOCCS(=O)(=O)N1CCCCC1CC(=O)OC
InChIInChI=1S/C11H21NO5S/c1-16-7-8-18(14,15)12-6-4-3-5-10(12)9-11(13)17-2/h10H,3-9H2,1-2H3
InChIKeyQWEJKYQGRCYODR-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.38
Rot. Bonds6

About methyl 2-[1-(2-methoxyethylsulfonyl)piperidin-2-yl]acetate

methyl 2-[1-(2-methoxyethylsulfonyl)piperidin-2-yl]acetate (PubChem CID 55014539) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is methyl 2-[1-(2-methoxyethylsulfonyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-methoxyethylsulfonyl)piperidin-2-yl]acetate
PubChem CID55014539
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Namemethyl 2-[1-(2-methoxyethylsulfonyl)piperidin-2-yl]acetate
SMILESCOCCS(=O)(=O)N1CCCCC1CC(=O)OC
InChIInChI=1S/C11H21NO5S/c1-16-7-8-18(14,15)12-6-4-3-5-10(12)9-11(13)17-2/h10H,3-9H2,1-2H3
InChIKeyQWEJKYQGRCYODR-UHFFFAOYSA-N
XLogP0.38
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-methoxyethylsulfonyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(2-methoxyethylsulfonyl)piperidin-2-yl]acetate (CID 55014539) is methyl 2-[1-(2-methoxyethylsulfonyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-methoxyethylsulfonyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-methoxyethylsulfonyl)piperidin-2-yl]acetate is COCCS(=O)(=O)N1CCCCC1CC(=O)OC.
What is the InChIKey of methyl 2-[1-(2-methoxyethylsulfonyl)piperidin-2-yl]acetate?
The InChIKey is QWEJKYQGRCYODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-16-7-8-18(14,15)12-6-4-3-5-10(12)9-11(13)17-2/h10H,3-9H2,1-2H3.
What are the key properties of methyl 2-[1-(2-methoxyethylsulfonyl)piperidin-2-yl]acetate?
methyl 2-[1-(2-methoxyethylsulfonyl)piperidin-2-yl]acetate has a molecular weight of 279.36 g/mol, XLogP of 0.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-methoxyethylsulfonyl)piperidin-2-yl]acetate is sourced from PubChem (CID 55014539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).