methyl 2-(2-piperidin-4-yloxyethylsulfamoyl)acetate

C10H20N2O5S — CID 63870829

IUPACmethyl 2-(2-piperidin-4-yloxyethylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)NCCOC1CCNCC1
InChIInChI=1S/C10H20N2O5S/c1-16-10(13)8-18(14,15)12-6-7-17-9-2-4-11-5-3-9/h9,11-12H,2-8H2,1H3
InChIKeyWZQZQKJYOLXAAN-UHFFFAOYSA-N
MW280.35 g/mol
LogP-1.15
Rot. Bonds7

About methyl 2-(2-piperidin-4-yloxyethylsulfamoyl)acetate

methyl 2-(2-piperidin-4-yloxyethylsulfamoyl)acetate (PubChem CID 63870829) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is methyl 2-(2-piperidin-4-yloxyethylsulfamoyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-piperidin-4-yloxyethylsulfamoyl)acetate
PubChem CID63870829
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Namemethyl 2-(2-piperidin-4-yloxyethylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)NCCOC1CCNCC1
InChIInChI=1S/C10H20N2O5S/c1-16-10(13)8-18(14,15)12-6-7-17-9-2-4-11-5-3-9/h9,11-12H,2-8H2,1H3
InChIKeyWZQZQKJYOLXAAN-UHFFFAOYSA-N
XLogP-1.15
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(2-piperidin-4-yloxyethylsulfamoyl)propanoate
CID 55250997
2-methylsulfonyl-N-(2-piperidin-4-yloxyethyl)ethanesulfonamide
CID 55252432
1-phenyl-N-(2-piperidin-4-yloxyethyl)methanesulfonamide
CID 63871482
N-(3-piperidin-4-yloxypropyl)butane-1-sulfonamide
CID 63869320
2,2,2-trifluoro-N-(2-piperidin-4-yloxyethyl)acetamide
CID 63869260
ethyl 2-(2-piperidin-4-yloxyethylamino)acetate
CID 176582615
methyl 2-(5-hydroxypentylsulfamoyl)acetate
CID 107319424
methyl 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]acetate
CID 107487761
4-fluoro-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide
CID 63870153
1,1,1-trifluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide
CID 63869486
1-butyl-3-(2-piperidin-4-yloxyethyl)urea
CID 55252329
1,1-diethyl-3-(2-piperidin-4-yloxyethyl)urea
CID 79161980

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-piperidin-4-yloxyethylsulfamoyl)acetate?
The IUPAC name of methyl 2-(2-piperidin-4-yloxyethylsulfamoyl)acetate (CID 63870829) is methyl 2-(2-piperidin-4-yloxyethylsulfamoyl)acetate.
What is the SMILES notation for methyl 2-(2-piperidin-4-yloxyethylsulfamoyl)acetate?
The canonical SMILES for methyl 2-(2-piperidin-4-yloxyethylsulfamoyl)acetate is COC(=O)CS(=O)(=O)NCCOC1CCNCC1.
What is the InChIKey of methyl 2-(2-piperidin-4-yloxyethylsulfamoyl)acetate?
The InChIKey is WZQZQKJYOLXAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-16-10(13)8-18(14,15)12-6-7-17-9-2-4-11-5-3-9/h9,11-12H,2-8H2,1H3.
What are the key properties of methyl 2-(2-piperidin-4-yloxyethylsulfamoyl)acetate?
methyl 2-(2-piperidin-4-yloxyethylsulfamoyl)acetate has a molecular weight of 280.35 g/mol, XLogP of -1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-piperidin-4-yloxyethylsulfamoyl)acetate is sourced from PubChem (CID 63870829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).