methyl 2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)acetate

C15H21NO5S — CID 1092927

IUPACmethyl 2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C
InChIInChI=1S/C15H21NO5S/c1-12-10-13(6-7-14(12)21-11-15(17)20-2)22(18,19)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9,11H2,1-2H3
InChIKeyXJWVRXDICCYCNM-UHFFFAOYSA-N
MW327.40 g/mol
LogP1.72
Rot. Bonds5

About methyl 2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)acetate

methyl 2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)acetate (PubChem CID 1092927) has the molecular formula C15H21NO5S and a molecular weight of 327.40 g/mol. Its IUPAC name is methyl 2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)acetate
PubChem CID1092927
Molecular FormulaC15H21NO5S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC Namemethyl 2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C
InChIInChI=1S/C15H21NO5S/c1-12-10-13(6-7-14(12)21-11-15(17)20-2)22(18,19)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9,11H2,1-2H3
InChIKeyXJWVRXDICCYCNM-UHFFFAOYSA-N
XLogP1.72
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)acetate?
The IUPAC name of methyl 2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)acetate (CID 1092927) is methyl 2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)acetate.
What is the SMILES notation for methyl 2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)acetate?
The canonical SMILES for methyl 2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)acetate is COC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C.
What is the InChIKey of methyl 2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)acetate?
The InChIKey is XJWVRXDICCYCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5S/c1-12-10-13(6-7-14(12)21-11-15(17)20-2)22(18,19)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9,11H2,1-2H3.
What are the key properties of methyl 2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)acetate?
methyl 2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)acetate has a molecular weight of 327.40 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)acetate is sourced from PubChem (CID 1092927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).