methyl 3-(2-piperidin-1-ylethylsulfamoyl)propanoate

C11H22N2O4S — CID 58659544

IUPACmethyl 3-(2-piperidin-1-ylethylsulfamoyl)propanoate
SMILESCOC(=O)CCS(=O)(=O)NCCN1CCCCC1
InChIInChI=1S/C11H22N2O4S/c1-17-11(14)5-10-18(15,16)12-6-9-13-7-3-2-4-8-13/h12H,2-10H2,1H3
InChIKeyHFGWCJYWBIBGIJ-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.05
Rot. Bonds7

About methyl 3-(2-piperidin-1-ylethylsulfamoyl)propanoate

methyl 3-(2-piperidin-1-ylethylsulfamoyl)propanoate (PubChem CID 58659544) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is methyl 3-(2-piperidin-1-ylethylsulfamoyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-piperidin-1-ylethylsulfamoyl)propanoate
PubChem CID58659544
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Namemethyl 3-(2-piperidin-1-ylethylsulfamoyl)propanoate
SMILESCOC(=O)CCS(=O)(=O)NCCN1CCCCC1
InChIInChI=1S/C11H22N2O4S/c1-17-11(14)5-10-18(15,16)12-6-9-13-7-3-2-4-8-13/h12H,2-10H2,1H3
InChIKeyHFGWCJYWBIBGIJ-UHFFFAOYSA-N
XLogP-0.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-piperidin-1-ylethylsulfamoyl)propanoate?
The IUPAC name of methyl 3-(2-piperidin-1-ylethylsulfamoyl)propanoate (CID 58659544) is methyl 3-(2-piperidin-1-ylethylsulfamoyl)propanoate.
What is the SMILES notation for methyl 3-(2-piperidin-1-ylethylsulfamoyl)propanoate?
The canonical SMILES for methyl 3-(2-piperidin-1-ylethylsulfamoyl)propanoate is COC(=O)CCS(=O)(=O)NCCN1CCCCC1.
What is the InChIKey of methyl 3-(2-piperidin-1-ylethylsulfamoyl)propanoate?
The InChIKey is HFGWCJYWBIBGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-17-11(14)5-10-18(15,16)12-6-9-13-7-3-2-4-8-13/h12H,2-10H2,1H3.
What are the key properties of methyl 3-(2-piperidin-1-ylethylsulfamoyl)propanoate?
methyl 3-(2-piperidin-1-ylethylsulfamoyl)propanoate has a molecular weight of 278.37 g/mol, XLogP of -0.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-piperidin-1-ylethylsulfamoyl)propanoate is sourced from PubChem (CID 58659544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).