ethyl 2-(3-methylsulfonylpiperidin-4-yl)acetate

C10H19NO4S — CID 173291511

IUPACethyl 2-(3-methylsulfonylpiperidin-4-yl)acetate
SMILESCCOC(=O)CC1CCNCC1S(C)(=O)=O
InChIInChI=1S/C10H19NO4S/c1-3-15-10(12)6-8-4-5-11-7-9(8)16(2,13)14/h8-9,11H,3-7H2,1-2H3
InChIKeyRCGTUXCRNUXUOR-UHFFFAOYSA-N
MW249.33 g/mol
LogP-0.04
Rot. Bonds4

About ethyl 2-(3-methylsulfonylpiperidin-4-yl)acetate

ethyl 2-(3-methylsulfonylpiperidin-4-yl)acetate (PubChem CID 173291511) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is ethyl 2-(3-methylsulfonylpiperidin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methylsulfonylpiperidin-4-yl)acetate
PubChem CID173291511
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Nameethyl 2-(3-methylsulfonylpiperidin-4-yl)acetate
SMILESCCOC(=O)CC1CCNCC1S(C)(=O)=O
InChIInChI=1S/C10H19NO4S/c1-3-15-10(12)6-8-4-5-11-7-9(8)16(2,13)14/h8-9,11H,3-7H2,1-2H3
InChIKeyRCGTUXCRNUXUOR-UHFFFAOYSA-N
XLogP-0.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methylsulfonylpiperidin-4-yl)acetate?
The IUPAC name of ethyl 2-(3-methylsulfonylpiperidin-4-yl)acetate (CID 173291511) is ethyl 2-(3-methylsulfonylpiperidin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(3-methylsulfonylpiperidin-4-yl)acetate?
The canonical SMILES for ethyl 2-(3-methylsulfonylpiperidin-4-yl)acetate is CCOC(=O)CC1CCNCC1S(C)(=O)=O.
What is the InChIKey of ethyl 2-(3-methylsulfonylpiperidin-4-yl)acetate?
The InChIKey is RCGTUXCRNUXUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-3-15-10(12)6-8-4-5-11-7-9(8)16(2,13)14/h8-9,11H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(3-methylsulfonylpiperidin-4-yl)acetate?
ethyl 2-(3-methylsulfonylpiperidin-4-yl)acetate has a molecular weight of 249.33 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methylsulfonylpiperidin-4-yl)acetate is sourced from PubChem (CID 173291511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).