4-[3-[1-(methylamino)ethyl]phenyl]sulfonylpiperazin-2-one

C13H19N3O3S — CID 43506960

IUPAC4-[3-[1-(methylamino)ethyl]phenyl]sulfonylpiperazin-2-one
SMILESCNC(C)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C13H19N3O3S/c1-10(14-2)11-4-3-5-12(8-11)20(18,19)16-7-6-15-13(17)9-16/h3-5,8,10,14H,6-7,9H2,1-2H3,(H,15,17)
InChIKeyYDLBZNXPTFJETJ-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.09
Rot. Bonds4

About 4-[3-[1-(methylamino)ethyl]phenyl]sulfonylpiperazin-2-one

4-[3-[1-(methylamino)ethyl]phenyl]sulfonylpiperazin-2-one (PubChem CID 43506960) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-[3-[1-(methylamino)ethyl]phenyl]sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-[1-(methylamino)ethyl]phenyl]sulfonylpiperazin-2-one
PubChem CID43506960
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name4-[3-[1-(methylamino)ethyl]phenyl]sulfonylpiperazin-2-one
SMILESCNC(C)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C13H19N3O3S/c1-10(14-2)11-4-3-5-12(8-11)20(18,19)16-7-6-15-13(17)9-16/h3-5,8,10,14H,6-7,9H2,1-2H3,(H,15,17)
InChIKeyYDLBZNXPTFJETJ-UHFFFAOYSA-N
XLogP0.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(1-aminoethyl)phenyl]sulfonylpiperazin-2-one
CID 43106971
(2S)-2-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]propanamide
CID 119283963
N-(3-methylbutan-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 43053331
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 46556309
4-[4-(methylamino)phenyl]sulfonylpiperazin-2-one
CID 43154652
N-(7-methyloctyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 36619157
4-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 39977453
2-(diethylamino)-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide
CID 56540459
N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 112704192
(1R)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 130699454
N-[(2R)-2-(ethylamino)propyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 120653983
4-(4-tert-butylphenyl)sulfonylpiperazin-2-one
CID 2465157

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(methylamino)ethyl]phenyl]sulfonylpiperazin-2-one?
The IUPAC name of 4-[3-[1-(methylamino)ethyl]phenyl]sulfonylpiperazin-2-one (CID 43506960) is 4-[3-[1-(methylamino)ethyl]phenyl]sulfonylpiperazin-2-one.
What is the SMILES notation for 4-[3-[1-(methylamino)ethyl]phenyl]sulfonylpiperazin-2-one?
The canonical SMILES for 4-[3-[1-(methylamino)ethyl]phenyl]sulfonylpiperazin-2-one is CNC(C)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1.
What is the InChIKey of 4-[3-[1-(methylamino)ethyl]phenyl]sulfonylpiperazin-2-one?
The InChIKey is YDLBZNXPTFJETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-10(14-2)11-4-3-5-12(8-11)20(18,19)16-7-6-15-13(17)9-16/h3-5,8,10,14H,6-7,9H2,1-2H3,(H,15,17).
What are the key properties of 4-[3-[1-(methylamino)ethyl]phenyl]sulfonylpiperazin-2-one?
4-[3-[1-(methylamino)ethyl]phenyl]sulfonylpiperazin-2-one has a molecular weight of 297.38 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(methylamino)ethyl]phenyl]sulfonylpiperazin-2-one is sourced from PubChem (CID 43506960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).