3-ethyl-4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one

C14H21N3O3S — CID 63604777

IUPAC3-ethyl-4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one
SMILESCCNc1ccc(S(=O)(=O)N2CCNC(=O)C2CC)cc1
InChIInChI=1S/C14H21N3O3S/c1-3-13-14(18)16-9-10-17(13)21(19,20)12-7-5-11(6-8-12)15-4-2/h5-8,13,15H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyHUEHAKUXLXASIU-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.02
Rot. Bonds5

About 3-ethyl-4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one

3-ethyl-4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one (PubChem CID 63604777) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-ethyl-4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one
PubChem CID63604777
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name3-ethyl-4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one
SMILESCCNc1ccc(S(=O)(=O)N2CCNC(=O)C2CC)cc1
InChIInChI=1S/C14H21N3O3S/c1-3-13-14(18)16-9-10-17(13)21(19,20)12-7-5-11(6-8-12)15-4-2/h5-8,13,15H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyHUEHAKUXLXASIU-UHFFFAOYSA-N
XLogP1.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-amino-3-pyridinyl)sulfonyl]-3-ethylpiperazin-2-one
CID 63604435
4-(3,5-difluorophenyl)sulfonyl-3-ethylpiperazin-2-one
CID 63600178
4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one
CID 62144052
4-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylpiperazin-2-one
CID 106546001
4-(3-bromo-4-methoxyphenyl)sulfonyl-3-ethylpiperazin-2-one
CID 63600524
3-ethyl-4-(2-nitrophenyl)sulfonylpiperazin-2-one
CID 63600532
N,2-diethyl-3-oxopiperazine-1-sulfonamide
CID 115638456
3-ethyl-4-[4-(methylamino)phenyl]sulfonylpiperazine-2,6-dione
CID 66068785
methyl 2-[1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 17404752
4-(5-amino-2-methylphenyl)sulfonyl-3-ethylpiperazin-2-one
CID 63600786
methyl 2-[(2R)-1-(4-bromophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 25402199
3-ethyl-4-[(2-hydrazinyl-3-pyridinyl)sulfonyl]piperazin-2-one
CID 63603348

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one?
The IUPAC name of 3-ethyl-4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one (CID 63604777) is 3-ethyl-4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one?
The canonical SMILES for 3-ethyl-4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one is CCNc1ccc(S(=O)(=O)N2CCNC(=O)C2CC)cc1.
What is the InChIKey of 3-ethyl-4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one?
The InChIKey is HUEHAKUXLXASIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-3-13-14(18)16-9-10-17(13)21(19,20)12-7-5-11(6-8-12)15-4-2/h5-8,13,15H,3-4,9-10H2,1-2H3,(H,16,18).
What are the key properties of 3-ethyl-4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one?
3-ethyl-4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one has a molecular weight of 311.41 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one is sourced from PubChem (CID 63604777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).