1-[4-[4-(1-aminoethyl)phenyl]sulfonylpiperazin-1-yl]ethanone

C14H21N3O3S — CID 43102421

IUPAC1-[4-[4-(1-aminoethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)N)cc2)CC1
InChIInChI=1S/C14H21N3O3S/c1-11(15)13-3-5-14(6-4-13)21(19,20)17-9-7-16(8-10-17)12(2)18/h3-6,11H,7-10,15H2,1-2H3
InChIKeyNZIIKVFLAKSGJF-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.56
Rot. Bonds3

About 1-[4-[4-(1-aminoethyl)phenyl]sulfonylpiperazin-1-yl]ethanone

1-[4-[4-(1-aminoethyl)phenyl]sulfonylpiperazin-1-yl]ethanone (PubChem CID 43102421) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-[4-[4-(1-aminoethyl)phenyl]sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(1-aminoethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
PubChem CID43102421
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name1-[4-[4-(1-aminoethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)N)cc2)CC1
InChIInChI=1S/C14H21N3O3S/c1-11(15)13-3-5-14(6-4-13)21(19,20)17-9-7-16(8-10-17)12(2)18/h3-6,11H,7-10,15H2,1-2H3
InChIKeyNZIIKVFLAKSGJF-UHFFFAOYSA-N
XLogP0.56
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 3872906
1-[4-(1-aminoethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 43107139
1-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]ethanone
CID 16645259
3-amino-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119680786
(2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-aminopropan-1-one;hydrochloride
CID 119269185
2-amino-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 119266647
1-[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]ethanamine
CID 43373233
(1-aminocyclohexyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119266651
[(1R,2S)-2-methylcyclopropyl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9344045
(2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119265572
1-[4-(1-aminoethyl)phenyl]sulfonyl-3-methylpiperidin-4-ol
CID 114679042
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-aminobutan-1-one;hydrochloride
CID 119685697

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1-aminoethyl)phenyl]sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(1-aminoethyl)phenyl]sulfonylpiperazin-1-yl]ethanone (CID 43102421) is 1-[4-[4-(1-aminoethyl)phenyl]sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(1-aminoethyl)phenyl]sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(1-aminoethyl)phenyl]sulfonylpiperazin-1-yl]ethanone is CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)N)cc2)CC1.
What is the InChIKey of 1-[4-[4-(1-aminoethyl)phenyl]sulfonylpiperazin-1-yl]ethanone?
The InChIKey is NZIIKVFLAKSGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-11(15)13-3-5-14(6-4-13)21(19,20)17-9-7-16(8-10-17)12(2)18/h3-6,11H,7-10,15H2,1-2H3.
What are the key properties of 1-[4-[4-(1-aminoethyl)phenyl]sulfonylpiperazin-1-yl]ethanone?
1-[4-[4-(1-aminoethyl)phenyl]sulfonylpiperazin-1-yl]ethanone has a molecular weight of 311.41 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1-aminoethyl)phenyl]sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 43102421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).