methyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate

C10H20N2O4S — CID 55169536

IUPACmethyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)N1CCCCC1C(C)N
InChIInChI=1S/C10H20N2O4S/c1-8(11)9-5-3-4-6-12(9)17(14,15)7-10(13)16-2/h8-9H,3-7,11H2,1-2H3
InChIKeySYEUSXCWOXZJMT-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.31
Rot. Bonds4

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

methyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate (PubChem CID 55169536) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is methyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate.

Molecular Properties

Compound Namemethyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate
PubChem CID55169536
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Namemethyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)N1CCCCC1C(C)N
InChIInChI=1S/C10H20N2O4S/c1-8(11)9-5-3-4-6-12(9)17(14,15)7-10(13)16-2/h8-9H,3-7,11H2,1-2H3
InChIKeySYEUSXCWOXZJMT-UHFFFAOYSA-N
XLogP-0.31
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate?
The IUPAC name of methyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate (CID 55169536) is methyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate.
What is the SMILES notation for methyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate?
The canonical SMILES for methyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate is COC(=O)CS(=O)(=O)N1CCCCC1C(C)N.
What is the InChIKey of methyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate?
The InChIKey is SYEUSXCWOXZJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-8(11)9-5-3-4-6-12(9)17(14,15)7-10(13)16-2/h8-9H,3-7,11H2,1-2H3.
What are the key properties of methyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate?
methyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate has a molecular weight of 264.35 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylacetate is sourced from PubChem (CID 55169536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).