methyl 2-[3-(methylaminomethyl)piperidin-1-yl]sulfonylacetate

C10H20N2O4S — CID 61357791

IUPACmethyl 2-[3-(methylaminomethyl)piperidin-1-yl]sulfonylacetate
SMILESCNCC1CCCN(S(=O)(=O)CC(=O)OC)C1
InChIInChI=1S/C10H20N2O4S/c1-11-6-9-4-3-5-12(7-9)17(14,15)8-10(13)16-2/h9,11H,3-8H2,1-2H3
InChIKeyVCQDRLVINPVELF-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.58
Rot. Bonds5

About methyl 2-[3-(methylaminomethyl)piperidin-1-yl]sulfonylacetate

methyl 2-[3-(methylaminomethyl)piperidin-1-yl]sulfonylacetate (PubChem CID 61357791) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is methyl 2-[3-(methylaminomethyl)piperidin-1-yl]sulfonylacetate.

Molecular Properties

Compound Namemethyl 2-[3-(methylaminomethyl)piperidin-1-yl]sulfonylacetate
PubChem CID61357791
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Namemethyl 2-[3-(methylaminomethyl)piperidin-1-yl]sulfonylacetate
SMILESCNCC1CCCN(S(=O)(=O)CC(=O)OC)C1
InChIInChI=1S/C10H20N2O4S/c1-11-6-9-4-3-5-12(7-9)17(14,15)8-10(13)16-2/h9,11H,3-8H2,1-2H3
InChIKeyVCQDRLVINPVELF-UHFFFAOYSA-N
XLogP-0.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(methylaminomethyl)piperidin-1-yl]sulfonylacetate?
The IUPAC name of methyl 2-[3-(methylaminomethyl)piperidin-1-yl]sulfonylacetate (CID 61357791) is methyl 2-[3-(methylaminomethyl)piperidin-1-yl]sulfonylacetate.
What is the SMILES notation for methyl 2-[3-(methylaminomethyl)piperidin-1-yl]sulfonylacetate?
The canonical SMILES for methyl 2-[3-(methylaminomethyl)piperidin-1-yl]sulfonylacetate is CNCC1CCCN(S(=O)(=O)CC(=O)OC)C1.
What is the InChIKey of methyl 2-[3-(methylaminomethyl)piperidin-1-yl]sulfonylacetate?
The InChIKey is VCQDRLVINPVELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-11-6-9-4-3-5-12(7-9)17(14,15)8-10(13)16-2/h9,11H,3-8H2,1-2H3.
What are the key properties of methyl 2-[3-(methylaminomethyl)piperidin-1-yl]sulfonylacetate?
methyl 2-[3-(methylaminomethyl)piperidin-1-yl]sulfonylacetate has a molecular weight of 264.35 g/mol, XLogP of -0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(methylaminomethyl)piperidin-1-yl]sulfonylacetate is sourced from PubChem (CID 61357791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).