2-amino-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride

C13H20ClN3O3S — CID 119265301

IUPAC2-amino-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CN)CC2)cc1.Cl
InChIInChI=1S/C13H19N3O3S.ClH/c1-11-2-4-12(5-3-11)20(18,19)16-8-6-15(7-9-16)13(17)10-14;/h2-5H,6-10,14H2,1H3;1H
InChIKeyNQNDAAOQOWJDAH-UHFFFAOYSA-N
MW333.84 g/mol
LogP0.21
Rot. Bonds3

About 2-amino-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride

2-amino-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride (PubChem CID 119265301) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is 2-amino-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
PubChem CID119265301
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC Name2-amino-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CN)CC2)cc1.Cl
InChIInChI=1S/C13H19N3O3S.ClH/c1-11-2-4-12(5-3-11)20(18,19)16-8-6-15(7-9-16)13(17)10-14;/h2-5H,6-10,14H2,1H3;1H
InChIKeyNQNDAAOQOWJDAH-UHFFFAOYSA-N
XLogP0.21
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 2106955
2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 16769203
2-amino-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 119265370
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-methylsulfanylethanone
CID 9495863
2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 119269764
2-methoxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 9495897
N-(2-aminoethyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide;hydrochloride
CID 119383883
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 17191316
1-[4-(aminomethyl)piperidin-1-yl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone;dihydrochloride
CID 119423255
2-amino-1-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]ethanone
CID 98781730
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 9326847
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-propylsulfanylethanone
CID 55821892

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-amino-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride (CID 119265301) is 2-amino-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride is Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN)CC2)cc1.Cl.
What is the InChIKey of 2-amino-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride?
The InChIKey is NQNDAAOQOWJDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S.ClH/c1-11-2-4-12(5-3-11)20(18,19)16-8-6-15(7-9-16)13(17)10-14;/h2-5H,6-10,14H2,1H3;1H.
What are the key properties of 2-amino-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride?
2-amino-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride has a molecular weight of 333.84 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119265301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).