4-[4-(2-aminoethyl)phenyl]sulfonyl-3-methylpiperazin-2-one

C13H19N3O3S — CID 63606437

IUPAC4-[4-(2-aminoethyl)phenyl]sulfonyl-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1S(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C13H19N3O3S/c1-10-13(17)15-8-9-16(10)20(18,19)12-4-2-11(3-5-12)6-7-14/h2-5,10H,6-9,14H2,1H3,(H,15,17)
InChIKeyXPDGLJGQMADYGZ-UHFFFAOYSA-N
MW297.38 g/mol
LogP-0.30
Rot. Bonds4

About 4-[4-(2-aminoethyl)phenyl]sulfonyl-3-methylpiperazin-2-one

4-[4-(2-aminoethyl)phenyl]sulfonyl-3-methylpiperazin-2-one (PubChem CID 63606437) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-[4-(2-aminoethyl)phenyl]sulfonyl-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-(2-aminoethyl)phenyl]sulfonyl-3-methylpiperazin-2-one
PubChem CID63606437
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name4-[4-(2-aminoethyl)phenyl]sulfonyl-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1S(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C13H19N3O3S/c1-10-13(17)15-8-9-16(10)20(18,19)12-4-2-11(3-5-12)6-7-14/h2-5,10H,6-9,14H2,1H3,(H,15,17)
InChIKeyXPDGLJGQMADYGZ-UHFFFAOYSA-N
XLogP-0.30
TPSA92.50 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 ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methyl-3-oxopiperazin-1-yl)sulfonylphenyl]acetonitrile
CID 79186265
4-[4-(2-aminoethyl)phenyl]sulfonyl-3-methylpiperazine-2,6-dione
CID 66075834
4-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide
CID 63606240
3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzenesulfonamide
CID 63361950
4-(5-amino-2-nitrophenyl)sulfonyl-3-methylpiperazin-2-one
CID 63602666
3-methyl-4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one
CID 63607963
4-(3-amino-4,5-dimethylphenyl)sulfonyl-3-methylpiperazin-2-one
CID 63594763
4-(3-bromo-4-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one
CID 63362640
2-bromo-5-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzoic acid
CID 63606843
3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzoic acid
CID 63607350
4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-methylpiperazin-2-one
CID 63362855
4-[2-(4-aminophenyl)ethyl]-3-methylpiperazin-2-one
CID 63596462

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminoethyl)phenyl]sulfonyl-3-methylpiperazin-2-one?
The IUPAC name of 4-[4-(2-aminoethyl)phenyl]sulfonyl-3-methylpiperazin-2-one (CID 63606437) is 4-[4-(2-aminoethyl)phenyl]sulfonyl-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[4-(2-aminoethyl)phenyl]sulfonyl-3-methylpiperazin-2-one?
The canonical SMILES for 4-[4-(2-aminoethyl)phenyl]sulfonyl-3-methylpiperazin-2-one is CC1C(=O)NCCN1S(=O)(=O)c1ccc(CCN)cc1.
What is the InChIKey of 4-[4-(2-aminoethyl)phenyl]sulfonyl-3-methylpiperazin-2-one?
The InChIKey is XPDGLJGQMADYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-10-13(17)15-8-9-16(10)20(18,19)12-4-2-11(3-5-12)6-7-14/h2-5,10H,6-9,14H2,1H3,(H,15,17).
What are the key properties of 4-[4-(2-aminoethyl)phenyl]sulfonyl-3-methylpiperazin-2-one?
4-[4-(2-aminoethyl)phenyl]sulfonyl-3-methylpiperazin-2-one has a molecular weight of 297.38 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminoethyl)phenyl]sulfonyl-3-methylpiperazin-2-one is sourced from PubChem (CID 63606437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).