N,N-diethyl-2-oxo-2-piperazin-1-ylethanesulfonamide;hydrochloride

C10H22ClN3O3S — CID 119403914

IUPACN,N-diethyl-2-oxo-2-piperazin-1-ylethanesulfonamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)CC(=O)N1CCNCC1.Cl
InChIInChI=1S/C10H21N3O3S.ClH/c1-3-13(4-2)17(15,16)9-10(14)12-7-5-11-6-8-12;/h11H,3-9H2,1-2H3;1H
InChIKeyMGGISKGOOBNLEZ-UHFFFAOYSA-N
MW299.82 g/mol
LogP-0.49
Rot. Bonds5

About N,N-diethyl-2-oxo-2-piperazin-1-ylethanesulfonamide;hydrochloride

N,N-diethyl-2-oxo-2-piperazin-1-ylethanesulfonamide;hydrochloride (PubChem CID 119403914) has the molecular formula C10H22ClN3O3S and a molecular weight of 299.82 g/mol. Its IUPAC name is N,N-diethyl-2-oxo-2-piperazin-1-ylethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-oxo-2-piperazin-1-ylethanesulfonamide;hydrochloride
PubChem CID119403914
Molecular FormulaC10H22ClN3O3S
Molecular Weight299.82 g/mol
Exact Mass299.11
IUPAC NameN,N-diethyl-2-oxo-2-piperazin-1-ylethanesulfonamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)CC(=O)N1CCNCC1.Cl
InChIInChI=1S/C10H21N3O3S.ClH/c1-3-13(4-2)17(15,16)9-10(14)12-7-5-11-6-8-12;/h11H,3-9H2,1-2H3;1H
InChIKeyMGGISKGOOBNLEZ-UHFFFAOYSA-N
XLogP-0.49
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-(2-methylpiperazin-1-yl)-2-oxoethanesulfonamide;hydrochloride
CID 119473658
N,N-diethyl-2-oxo-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanesulfonamide
CID 71984178
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
2-(diethylsulfamoyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119449276
N-(2-oxo-2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride
CID 119967617
2-(3-aminopiperidin-1-yl)-N,N-diethyl-2-oxoethanesulfonamide;hydrochloride
CID 119381858
3-methylsulfonyl-1-piperazin-1-ylpropan-1-one
CID 61003211
N-ethyl-N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54903788
N-[3-(4-methylpiperazin-1-yl)propyl]-N-(3-oxo-3-piperazin-1-ylpropyl)ethanesulfonamide
CID 50775977
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
N,N-diethyl-2-[3-(methylamino)piperidin-1-yl]-2-oxoethanesulfonamide
CID 119493899
N,N-diethylpiperazine-1-carboxamide;molecular hydrogen;hydrochloride
CID 43842039

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-oxo-2-piperazin-1-ylethanesulfonamide;hydrochloride?
The IUPAC name of N,N-diethyl-2-oxo-2-piperazin-1-ylethanesulfonamide;hydrochloride (CID 119403914) is N,N-diethyl-2-oxo-2-piperazin-1-ylethanesulfonamide;hydrochloride.
What is the SMILES notation for N,N-diethyl-2-oxo-2-piperazin-1-ylethanesulfonamide;hydrochloride?
The canonical SMILES for N,N-diethyl-2-oxo-2-piperazin-1-ylethanesulfonamide;hydrochloride is CCN(CC)S(=O)(=O)CC(=O)N1CCNCC1.Cl.
What is the InChIKey of N,N-diethyl-2-oxo-2-piperazin-1-ylethanesulfonamide;hydrochloride?
The InChIKey is MGGISKGOOBNLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S.ClH/c1-3-13(4-2)17(15,16)9-10(14)12-7-5-11-6-8-12;/h11H,3-9H2,1-2H3;1H.
What are the key properties of N,N-diethyl-2-oxo-2-piperazin-1-ylethanesulfonamide;hydrochloride?
N,N-diethyl-2-oxo-2-piperazin-1-ylethanesulfonamide;hydrochloride has a molecular weight of 299.82 g/mol, XLogP of -0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-oxo-2-piperazin-1-ylethanesulfonamide;hydrochloride is sourced from PubChem (CID 119403914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).