ethyl 3-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate

C11H21N3O5S — CID 61459214

IUPACethyl 3-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)NCC(=O)N1CCNCC1
InChIInChI=1S/C11H21N3O5S/c1-2-19-11(16)3-8-20(17,18)13-9-10(15)14-6-4-12-5-7-14/h12-13H,2-9H2,1H3
InChIKeyLFBASLFNJWRWFQ-UHFFFAOYSA-N
MW307.37 g/mol
LogP-1.71
Rot. Bonds7

About ethyl 3-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate

ethyl 3-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate (PubChem CID 61459214) has the molecular formula C11H21N3O5S and a molecular weight of 307.37 g/mol. Its IUPAC name is ethyl 3-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate
PubChem CID61459214
Molecular FormulaC11H21N3O5S
Molecular Weight307.37 g/mol
Exact Mass307.12
IUPAC Nameethyl 3-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)NCC(=O)N1CCNCC1
InChIInChI=1S/C11H21N3O5S/c1-2-19-11(16)3-8-20(17,18)13-9-10(15)14-6-4-12-5-7-14/h12-13H,2-9H2,1H3
InChIKeyLFBASLFNJWRWFQ-UHFFFAOYSA-N
XLogP-1.71
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-oxo-2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride
CID 119967617
ethyl 4-[2-(butylsulfonylamino)acetyl]piperazine-1-carboxylate
CID 110285441
ethyl 4-[2-(ethylsulfonylamino)acetyl]piperazine-1-carboxylate
CID 110285439
methyl 2-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate
CID 55138669
3-methylsulfonyl-1-piperazin-1-ylpropan-1-one
CID 61003211
ethyl 3-(2-aminobutylsulfamoyl)propanoate
CID 63730554
ethyl piperazine-1-carboxylate;sulfuric acid
CID 69107916
ethyl 3-(butan-2-ylsulfamoyl)propanoate
CID 63900304
ethyl 3-[7-(3-ethoxy-3-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoate
CID 132559455
methyl 3-(3-piperazin-1-ylpropylsulfamoyl)propanoate
CID 61458394
N-[2-(azepan-1-yl)-2-oxoethyl]butane-1-sulfonamide
CID 112995972
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]butane-1-sulfonamide
CID 112991956

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate?
The IUPAC name of ethyl 3-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate (CID 61459214) is ethyl 3-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate.
What is the SMILES notation for ethyl 3-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate?
The canonical SMILES for ethyl 3-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate is CCOC(=O)CCS(=O)(=O)NCC(=O)N1CCNCC1.
What is the InChIKey of ethyl 3-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate?
The InChIKey is LFBASLFNJWRWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5S/c1-2-19-11(16)3-8-20(17,18)13-9-10(15)14-6-4-12-5-7-14/h12-13H,2-9H2,1H3.
What are the key properties of ethyl 3-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate?
ethyl 3-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate has a molecular weight of 307.37 g/mol, XLogP of -1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate is sourced from PubChem (CID 61459214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).