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

C12H17N3O3S — CID 43106971

IUPAC4-[3-(1-aminoethyl)phenyl]sulfonylpiperazin-2-one
SMILESCC(N)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C12H17N3O3S/c1-9(13)10-3-2-4-11(7-10)19(17,18)15-6-5-14-12(16)8-15/h2-4,7,9H,5-6,8,13H2,1H3,(H,14,16)
InChIKeyNKGBMJAYUIKDIX-UHFFFAOYSA-N
MW283.35 g/mol
LogP-0.17
Rot. Bonds3

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

4-[3-(1-aminoethyl)phenyl]sulfonylpiperazin-2-one (PubChem CID 43106971) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-[3-(1-aminoethyl)phenyl]sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-(1-aminoethyl)phenyl]sulfonylpiperazin-2-one
PubChem CID43106971
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name4-[3-(1-aminoethyl)phenyl]sulfonylpiperazin-2-one
SMILESCC(N)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C12H17N3O3S/c1-9(13)10-3-2-4-11(7-10)19(17,18)15-6-5-14-12(16)8-15/h2-4,7,9H,5-6,8,13H2,1H3,(H,14,16)
InChIKeyNKGBMJAYUIKDIX-UHFFFAOYSA-N
XLogP-0.17
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[1-(methylamino)ethyl]phenyl]sulfonylpiperazin-2-one
CID 43506960
(2S)-2-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]propanamide
CID 119283963
1-[3-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]ethanamine
CID 43585548
N-(3-methylbutan-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 43053331
(2S)-2-amino-3,3-dimethyl-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]butanamide
CID 119713483
4-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 39977453
1-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-4-yl]ethanol
CID 106836366
N-(1-amino-4-methylpentan-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119588607
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 46556309
4-(3-bromophenyl)sulfonyl-1,4-diazepan-2-one
CID 62896700
4-(4-aminophenyl)sulfonylpiperazin-2-one
CID 16783955
1-[3-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine
CID 61217564

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-aminoethyl)phenyl]sulfonylpiperazin-2-one?
The IUPAC name of 4-[3-(1-aminoethyl)phenyl]sulfonylpiperazin-2-one (CID 43106971) is 4-[3-(1-aminoethyl)phenyl]sulfonylpiperazin-2-one.
What is the SMILES notation for 4-[3-(1-aminoethyl)phenyl]sulfonylpiperazin-2-one?
The canonical SMILES for 4-[3-(1-aminoethyl)phenyl]sulfonylpiperazin-2-one is CC(N)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1.
What is the InChIKey of 4-[3-(1-aminoethyl)phenyl]sulfonylpiperazin-2-one?
The InChIKey is NKGBMJAYUIKDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-9(13)10-3-2-4-11(7-10)19(17,18)15-6-5-14-12(16)8-15/h2-4,7,9H,5-6,8,13H2,1H3,(H,14,16).
What are the key properties of 4-[3-(1-aminoethyl)phenyl]sulfonylpiperazin-2-one?
4-[3-(1-aminoethyl)phenyl]sulfonylpiperazin-2-one has a molecular weight of 283.35 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-aminoethyl)phenyl]sulfonylpiperazin-2-one is sourced from PubChem (CID 43106971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).