2-(4-methylpiperazin-1-yl)-1-(2-phenylsulfanylphenyl)ethanone

C19H22N2OS — CID 51057854

IUPAC2-(4-methylpiperazin-1-yl)-1-(2-phenylsulfanylphenyl)ethanone
SMILESCN1CCN(CC(=O)c2ccccc2Sc2ccccc2)CC1
InChIInChI=1S/C19H22N2OS/c1-20-11-13-21(14-12-20)15-18(22)17-9-5-6-10-19(17)23-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKeyLAHWBDZDLSWQPQ-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.27
Rot. Bonds5

About 2-(4-methylpiperazin-1-yl)-1-(2-phenylsulfanylphenyl)ethanone

2-(4-methylpiperazin-1-yl)-1-(2-phenylsulfanylphenyl)ethanone (PubChem CID 51057854) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-(2-phenylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-(2-phenylsulfanylphenyl)ethanone
PubChem CID51057854
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name2-(4-methylpiperazin-1-yl)-1-(2-phenylsulfanylphenyl)ethanone
SMILESCN1CCN(CC(=O)c2ccccc2Sc2ccccc2)CC1
InChIInChI=1S/C19H22N2OS/c1-20-11-13-21(14-12-20)15-18(22)17-9-5-6-10-19(17)23-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKeyLAHWBDZDLSWQPQ-UHFFFAOYSA-N
XLogP3.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpiperazin-1-yl)-1-(4-phenylsulfanylphenyl)ethanone;dihydrochloride
CID 44723853
(4-methylpiperazin-1-yl)-(2-phenylsulfanylphenyl)methanone
CID 827133
2-(4-benzylpiperazin-1-yl)-1-[2-(4-methoxyphenyl)sulfanylphenyl]ethanone;dihydrochloride
CID 134122159
(Z)-but-2-enedioic acid;1-methyl-4-[(2-phenylsulfanylphenyl)methyl]piperazine
CID 15945681
N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenylsulfanylphenyl)acetamide
CID 12734396
2-[3-[2-(4-methylpiperazin-1-yl)acetyl]indol-1-yl]acetic acid
CID 170861226
3-[2-(4-methylpiperazin-1-yl)acetyl]benzoic acid
CID 170861612
2-[2-methyl-3-[2-(4-methylpiperazin-1-yl)acetyl]-5-phenylpyrrol-1-yl]acetic acid
CID 170861240
2-amino-4-hydroxy-5-[2-(4-methylpiperazin-1-yl)acetyl]benzoic acid
CID 170861812
1-[3-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170862183
1-(2-methylphenyl)-2-(4-propylpiperazin-1-yl)ethanone
CID 43794322
but-2-enedioic acid;1-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-4-methylpiperazine
CID 57352299

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(2-phenylsulfanylphenyl)ethanone?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(2-phenylsulfanylphenyl)ethanone (CID 51057854) is 2-(4-methylpiperazin-1-yl)-1-(2-phenylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-(2-phenylsulfanylphenyl)ethanone?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-(2-phenylsulfanylphenyl)ethanone is CN1CCN(CC(=O)c2ccccc2Sc2ccccc2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-(2-phenylsulfanylphenyl)ethanone?
The InChIKey is LAHWBDZDLSWQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-20-11-13-21(14-12-20)15-18(22)17-9-5-6-10-19(17)23-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-(2-phenylsulfanylphenyl)ethanone?
2-(4-methylpiperazin-1-yl)-1-(2-phenylsulfanylphenyl)ethanone has a molecular weight of 326.47 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1-(2-phenylsulfanylphenyl)ethanone is sourced from PubChem (CID 51057854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).