methyl 2-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate

C10H19N3O5S — CID 55138669

IUPACmethyl 2-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NCC(=O)N1CCNCC1
InChIInChI=1S/C10H19N3O5S/c1-8(10(15)18-2)19(16,17)12-7-9(14)13-5-3-11-4-6-13/h8,11-12H,3-7H2,1-2H3
InChIKeyURPWQORNLLXAIY-UHFFFAOYSA-N
MW293.35 g/mol
LogP-2.10
Rot. Bonds5

About methyl 2-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate

methyl 2-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate (PubChem CID 55138669) has the molecular formula C10H19N3O5S and a molecular weight of 293.35 g/mol. Its IUPAC name is methyl 2-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate
PubChem CID55138669
Molecular FormulaC10H19N3O5S
Molecular Weight293.35 g/mol
Exact Mass293.10
IUPAC Namemethyl 2-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NCC(=O)N1CCNCC1
InChIInChI=1S/C10H19N3O5S/c1-8(10(15)18-2)19(16,17)12-7-9(14)13-5-3-11-4-6-13/h8,11-12H,3-7H2,1-2H3
InChIKeyURPWQORNLLXAIY-UHFFFAOYSA-N
XLogP-2.10
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 5-2.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate?
The IUPAC name of methyl 2-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate (CID 55138669) is methyl 2-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 2-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate?
The canonical SMILES for methyl 2-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate is COC(=O)C(C)S(=O)(=O)NCC(=O)N1CCNCC1.
What is the InChIKey of methyl 2-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate?
The InChIKey is URPWQORNLLXAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5S/c1-8(10(15)18-2)19(16,17)12-7-9(14)13-5-3-11-4-6-13/h8,11-12H,3-7H2,1-2H3.
What are the key properties of methyl 2-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate?
methyl 2-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate has a molecular weight of 293.35 g/mol, XLogP of -2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate is sourced from PubChem (CID 55138669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).