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

C11H21NO4S — CID 54899623

IUPACmethyl 2-(1-propylsulfonylpiperidin-2-yl)acetate
SMILESCCCS(=O)(=O)N1CCCCC1CC(=O)OC
InChIInChI=1S/C11H21NO4S/c1-3-8-17(14,15)12-7-5-4-6-10(12)9-11(13)16-2/h10H,3-9H2,1-2H3
InChIKeyPKRHTNGLQGEAPZ-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.14
Rot. Bonds5

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

methyl 2-(1-propylsulfonylpiperidin-2-yl)acetate (PubChem CID 54899623) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is methyl 2-(1-propylsulfonylpiperidin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-propylsulfonylpiperidin-2-yl)acetate
PubChem CID54899623
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Namemethyl 2-(1-propylsulfonylpiperidin-2-yl)acetate
SMILESCCCS(=O)(=O)N1CCCCC1CC(=O)OC
InChIInChI=1S/C11H21NO4S/c1-3-8-17(14,15)12-7-5-4-6-10(12)9-11(13)16-2/h10H,3-9H2,1-2H3
InChIKeyPKRHTNGLQGEAPZ-UHFFFAOYSA-N
XLogP1.14
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-propylsulfonylpiperidin-2-yl)acetate?
The IUPAC name of methyl 2-(1-propylsulfonylpiperidin-2-yl)acetate (CID 54899623) is methyl 2-(1-propylsulfonylpiperidin-2-yl)acetate.
What is the SMILES notation for methyl 2-(1-propylsulfonylpiperidin-2-yl)acetate?
The canonical SMILES for methyl 2-(1-propylsulfonylpiperidin-2-yl)acetate is CCCS(=O)(=O)N1CCCCC1CC(=O)OC.
What is the InChIKey of methyl 2-(1-propylsulfonylpiperidin-2-yl)acetate?
The InChIKey is PKRHTNGLQGEAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-3-8-17(14,15)12-7-5-4-6-10(12)9-11(13)16-2/h10H,3-9H2,1-2H3.
What are the key properties of methyl 2-(1-propylsulfonylpiperidin-2-yl)acetate?
methyl 2-(1-propylsulfonylpiperidin-2-yl)acetate has a molecular weight of 263.36 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-propylsulfonylpiperidin-2-yl)acetate is sourced from PubChem (CID 54899623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).