(E)-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylethenesulfonamide

C14H19N3O3S — CID 60893294

IUPAC(E)-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylethenesulfonamide
SMILESO=C(CNS(=O)(=O)/C=C/c1ccccc1)N1CCNCC1
InChIInChI=1S/C14H19N3O3S/c18-14(17-9-7-15-8-10-17)12-16-21(19,20)11-6-13-4-2-1-3-5-13/h1-6,11,15-16H,7-10,12H2/b11-6+
InChIKeyWPHFPOUTMRSBIB-IZZDOVSWSA-N
MW309.39 g/mol
LogP0.01
Rot. Bonds5

About (E)-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylethenesulfonamide

(E)-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylethenesulfonamide (PubChem CID 60893294) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is (E)-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylethenesulfonamide
PubChem CID60893294
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name(E)-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylethenesulfonamide
SMILESO=C(CNS(=O)(=O)/C=C/c1ccccc1)N1CCNCC1
InChIInChI=1S/C14H19N3O3S/c18-14(17-9-7-15-8-10-17)12-16-21(19,20)11-6-13-4-2-1-3-5-13/h1-6,11,15-16H,7-10,12H2/b11-6+
InChIKeyWPHFPOUTMRSBIB-IZZDOVSWSA-N
XLogP0.01
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-phenylethenylsulfonylamino)acetate
CID 4137274
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 7826987
2-[[2-[[(E)-2-phenylethenyl]sulfonylamino]acetyl]amino]acetic acid
CID 6235486
propan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35522145
(E)-N-[2-[4-(2-hydroxypropanoyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)ethenesulfonamide
CID 75437410
(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
(E)-N-(4-methylpiperidin-4-yl)-2-phenylethenesulfonamide
CID 114696836
propyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35522147
[(2S)-1-amino-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 2571122
N-(2-oxo-2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride
CID 119967617
2-(2-hydroxyanilino)-1-piperazin-1-ylethanone
CID 82510539
N-(2-fluorophenyl)-2-[[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 42766043

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylethenesulfonamide (CID 60893294) is (E)-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylethenesulfonamide is O=C(CNS(=O)(=O)/C=C/c1ccccc1)N1CCNCC1.
What is the InChIKey of (E)-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylethenesulfonamide?
The InChIKey is WPHFPOUTMRSBIB-IZZDOVSWSA-N. The full InChI is InChI=1S/C14H19N3O3S/c18-14(17-9-7-15-8-10-17)12-16-21(19,20)11-6-13-4-2-1-3-5-13/h1-6,11,15-16H,7-10,12H2/b11-6+.
What are the key properties of (E)-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylethenesulfonamide?
(E)-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylethenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylethenesulfonamide is sourced from PubChem (CID 60893294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).