methyl 2-(1-methylsulfonylpiperidin-2-yl)acetate

C9H17NO4S — CID 61009294

IUPACmethyl 2-(1-methylsulfonylpiperidin-2-yl)acetate
SMILESCOC(=O)CC1CCCCN1S(C)(=O)=O
InChIInChI=1S/C9H17NO4S/c1-14-9(11)7-8-5-3-4-6-10(8)15(2,12)13/h8H,3-7H2,1-2H3
InChIKeyYGMXLNULYSGIPE-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.36
Rot. Bonds3

About methyl 2-(1-methylsulfonylpiperidin-2-yl)acetate

methyl 2-(1-methylsulfonylpiperidin-2-yl)acetate (PubChem CID 61009294) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is methyl 2-(1-methylsulfonylpiperidin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-methylsulfonylpiperidin-2-yl)acetate
PubChem CID61009294
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Namemethyl 2-(1-methylsulfonylpiperidin-2-yl)acetate
SMILESCOC(=O)CC1CCCCN1S(C)(=O)=O
InChIInChI=1S/C9H17NO4S/c1-14-9(11)7-8-5-3-4-6-10(8)15(2,12)13/h8H,3-7H2,1-2H3
InChIKeyYGMXLNULYSGIPE-UHFFFAOYSA-N
XLogP0.36
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-[1-(trifluoromethylsulfonyl)piperidin-2-yl]acetate
CID 54899437
Methyl 2-[1-(difluoromethylsulfonyl)piperidin-2-yl]acetate
CID 54899669
Methyl 2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]acetate
CID 83048178
Methyl 4-(1-methylsulfonylpiperidin-4-yl)butanoate
CID 59786127
Methyl 2-(5-methyl-1-methylsulfonylpyrrolidin-2-yl)acetate
CID 59877331
Methyl 2-(2-methoxy-2-oxoethyl)-1-piperidinepropanoate
CID 62026204
Tert-butyl 3-(1-methylsulfonylpiperidin-2-yl)propanoate
CID 158519148
Methyl 3-[3-(dimethylamino)propyl-methylsulfonylamino]dodecanoate
CID 170086627
Methyl 2-(1-propan-2-ylsulfonylpiperidin-2-yl)acetate
CID 54899393
Methyl 2-(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)acetate
CID 54899530
Methyl 2-[1-(dimethylsulfamoyl)piperidin-2-yl]acetate
CID 54899531
Methyl 2-[1-(diethylsulfamoyl)piperidin-2-yl]acetate
CID 54899577

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methylsulfonylpiperidin-2-yl)acetate?
The IUPAC name of methyl 2-(1-methylsulfonylpiperidin-2-yl)acetate (CID 61009294) is methyl 2-(1-methylsulfonylpiperidin-2-yl)acetate.
What is the SMILES notation for methyl 2-(1-methylsulfonylpiperidin-2-yl)acetate?
The canonical SMILES for methyl 2-(1-methylsulfonylpiperidin-2-yl)acetate is COC(=O)CC1CCCCN1S(C)(=O)=O.
What is the InChIKey of methyl 2-(1-methylsulfonylpiperidin-2-yl)acetate?
The InChIKey is YGMXLNULYSGIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-14-9(11)7-8-5-3-4-6-10(8)15(2,12)13/h8H,3-7H2,1-2H3.
What are the key properties of methyl 2-(1-methylsulfonylpiperidin-2-yl)acetate?
methyl 2-(1-methylsulfonylpiperidin-2-yl)acetate has a molecular weight of 235.30 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methylsulfonylpiperidin-2-yl)acetate is sourced from PubChem (CID 61009294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).