N-(2-oxo-2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride

C8H18ClN3O3S — CID 119967617

IUPACN-(2-oxo-2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NCC(=O)N1CCNCC1.Cl
InChIInChI=1S/C8H17N3O3S.ClH/c1-2-15(13,14)10-7-8(12)11-5-3-9-4-6-11;/h9-10H,2-7H2,1H3;1H
InChIKeySAFMZWRFUKDVOR-UHFFFAOYSA-N
MW271.77 g/mol
LogP-1.22
Rot. Bonds4

About N-(2-oxo-2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride

N-(2-oxo-2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride (PubChem CID 119967617) has the molecular formula C8H18ClN3O3S and a molecular weight of 271.77 g/mol. Its IUPAC name is N-(2-oxo-2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-oxo-2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride
PubChem CID119967617
Molecular FormulaC8H18ClN3O3S
Molecular Weight271.77 g/mol
Exact Mass271.08
IUPAC NameN-(2-oxo-2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NCC(=O)N1CCNCC1.Cl
InChIInChI=1S/C8H17N3O3S.ClH/c1-2-15(13,14)10-7-8(12)11-5-3-9-4-6-11;/h9-10H,2-7H2,1H3;1H
InChIKeySAFMZWRFUKDVOR-UHFFFAOYSA-N
XLogP-1.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate
CID 61459214
ethyl 4-[2-(ethylsulfonylamino)acetyl]piperazine-1-carboxylate
CID 110285439
methyl 2-[(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]propanoate
CID 55138669
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
3-methylsulfonyl-1-piperazin-1-ylpropan-1-one
CID 61003211
1-[2-[[cyclohexyl(methyl)sulfamoyl]amino]acetyl]piperazine
CID 60894938
2-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)butanamide
CID 28708756
N,N-diethyl-2-oxo-2-piperazin-1-ylethanesulfonamide;hydrochloride
CID 119403914
1-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrrole-3-sulfonamide
CID 60894937
2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrazole-3-sulfonamide
CID 104710214
1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylurea
CID 61176089
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]butane-1-sulfonamide
CID 112991956

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride?
The IUPAC name of N-(2-oxo-2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride (CID 119967617) is N-(2-oxo-2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-oxo-2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride?
The canonical SMILES for N-(2-oxo-2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride is CCS(=O)(=O)NCC(=O)N1CCNCC1.Cl.
What is the InChIKey of N-(2-oxo-2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride?
The InChIKey is SAFMZWRFUKDVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3S.ClH/c1-2-15(13,14)10-7-8(12)11-5-3-9-4-6-11;/h9-10H,2-7H2,1H3;1H.
What are the key properties of N-(2-oxo-2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride?
N-(2-oxo-2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride has a molecular weight of 271.77 g/mol, XLogP of -1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride is sourced from PubChem (CID 119967617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).