ethyl 2-[methyl(piperidin-4-yl)sulfamoyl]acetate

C10H20N2O4S — CID 54952631

IUPACethyl 2-[methyl(piperidin-4-yl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)N(C)C1CCNCC1
InChIInChI=1S/C10H20N2O4S/c1-3-16-10(13)8-17(14,15)12(2)9-4-6-11-7-5-9/h9,11H,3-8H2,1-2H3
InChIKeyYSJNILJEEUWSJD-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.44
Rot. Bonds5

About ethyl 2-[methyl(piperidin-4-yl)sulfamoyl]acetate

ethyl 2-[methyl(piperidin-4-yl)sulfamoyl]acetate (PubChem CID 54952631) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is ethyl 2-[methyl(piperidin-4-yl)sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl(piperidin-4-yl)sulfamoyl]acetate
PubChem CID54952631
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Nameethyl 2-[methyl(piperidin-4-yl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)N(C)C1CCNCC1
InChIInChI=1S/C10H20N2O4S/c1-3-16-10(13)8-17(14,15)12(2)9-4-6-11-7-5-9/h9,11H,3-8H2,1-2H3
InChIKeyYSJNILJEEUWSJD-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-[methyl(piperidin-4-yl)sulfamoyl]acetate?
The IUPAC name of ethyl 2-[methyl(piperidin-4-yl)sulfamoyl]acetate (CID 54952631) is ethyl 2-[methyl(piperidin-4-yl)sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[methyl(piperidin-4-yl)sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[methyl(piperidin-4-yl)sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)N(C)C1CCNCC1.
What is the InChIKey of ethyl 2-[methyl(piperidin-4-yl)sulfamoyl]acetate?
The InChIKey is YSJNILJEEUWSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-3-16-10(13)8-17(14,15)12(2)9-4-6-11-7-5-9/h9,11H,3-8H2,1-2H3.
What are the key properties of ethyl 2-[methyl(piperidin-4-yl)sulfamoyl]acetate?
ethyl 2-[methyl(piperidin-4-yl)sulfamoyl]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-[methyl(piperidin-4-yl)sulfamoyl]acetate is sourced from PubChem (CID 54952631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).