ethyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate

C10H20N2O4S — CID 43628909

IUPACethyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate
SMILESCCOC(=O)CNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H20N2O4S/c1-3-16-10(13)8-11-9-4-6-12(7-5-9)17(2,14)15/h9,11H,3-8H2,1-2H3
InChIKeyUNMPHTKNCOBSIM-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.44
Rot. Bonds5

About ethyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate

ethyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate (PubChem CID 43628909) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is ethyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate
PubChem CID43628909
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Nameethyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate
SMILESCCOC(=O)CNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H20N2O4S/c1-3-16-10(13)8-11-9-4-6-12(7-5-9)17(2,14)15/h9,11H,3-8H2,1-2H3
InChIKeyUNMPHTKNCOBSIM-UHFFFAOYSA-N
XLogP-0.44
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 ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate (CID 43628909) is ethyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate is CCOC(=O)CNC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of ethyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate?
The InChIKey is UNMPHTKNCOBSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-3-16-10(13)8-11-9-4-6-12(7-5-9)17(2,14)15/h9,11H,3-8H2,1-2H3.
What are the key properties of ethyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate?
ethyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate has a molecular weight of 264.35 g/mol, XLogP of -0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methylsulfonylpiperidin-4-yl)amino]acetate is sourced from PubChem (CID 43628909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).