2-(methylamino)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride

C16H26ClN3O3S — CID 119686738

IUPAC2-(methylamino)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C(=O)CNC)CC2)cc1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-3-4-14-5-7-15(8-6-14)23(21,22)19-11-9-18(10-12-19)16(20)13-17-2;/h5-8,17H,3-4,9-13H2,1-2H3;1H
InChIKeyVAEAAUHYQYZYKX-UHFFFAOYSA-N
MW375.92 g/mol
LogP1.11
Rot. Bonds6

About 2-(methylamino)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride

2-(methylamino)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride (PubChem CID 119686738) has the molecular formula C16H26ClN3O3S and a molecular weight of 375.92 g/mol. Its IUPAC name is 2-(methylamino)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
PubChem CID119686738
Molecular FormulaC16H26ClN3O3S
Molecular Weight375.92 g/mol
Exact Mass375.14
IUPAC Name2-(methylamino)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C(=O)CNC)CC2)cc1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-3-4-14-5-7-15(8-6-14)23(21,22)19-11-9-18(10-12-19)16(20)13-17-2;/h5-8,17H,3-4,9-13H2,1-2H3;1H
InChIKeyVAEAAUHYQYZYKX-UHFFFAOYSA-N
XLogP1.11
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.92
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 119269764
2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817473
(2S)-2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride
CID 119269757
3-methyl-1-[4-(4-propylphenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one
CID 110797428
1-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-2-(methylamino)ethanone
CID 119748126
3-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]but-2-en-1-one
CID 9246642
1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone
CID 119687160
1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728
(4-hydroxyphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 112765347
3-(2-fluorophenyl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 9429151
2-(1H-indol-3-yl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 112765357
(4-methylsulfanylphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 8624100

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(methylamino)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride (CID 119686738) is 2-(methylamino)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(methylamino)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(methylamino)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride is CCCc1ccc(S(=O)(=O)N2CCN(C(=O)CNC)CC2)cc1.Cl.
What is the InChIKey of 2-(methylamino)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride?
The InChIKey is VAEAAUHYQYZYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S.ClH/c1-3-4-14-5-7-15(8-6-14)23(21,22)19-11-9-18(10-12-19)16(20)13-17-2;/h5-8,17H,3-4,9-13H2,1-2H3;1H.
What are the key properties of 2-(methylamino)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride?
2-(methylamino)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride has a molecular weight of 375.92 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119686738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).