2-(2,5-dimethylphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one

C16H24N2OS — CID 39288048

IUPAC2-(2,5-dimethylphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one
SMILESCc1ccc(C)c(SC(C)(C)C(=O)N2CCNCC2)c1
InChIInChI=1S/C16H24N2OS/c1-12-5-6-13(2)14(11-12)20-16(3,4)15(19)18-9-7-17-8-10-18/h5-6,11,17H,7-10H2,1-4H3
InChIKeyPADHFWRHEGFVPI-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.61
Rot. Bonds3

About 2-(2,5-dimethylphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one

2-(2,5-dimethylphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one (PubChem CID 39288048) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one
PubChem CID39288048
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one
SMILESCc1ccc(C)c(SC(C)(C)C(=O)N2CCNCC2)c1
InChIInChI=1S/C16H24N2OS/c1-12-5-6-13(2)14(11-12)20-16(3,4)15(19)18-9-7-17-8-10-18/h5-6,11,17H,7-10H2,1-4H3
InChIKeyPADHFWRHEGFVPI-UHFFFAOYSA-N
XLogP2.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(2-methylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one
CID 39284870
2-(2-methoxyphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one
CID 39288441
2-(4-fluoro-3-methylphenyl)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 82303762
1,4-diazepan-1-yl-(2,5-dimethylphenyl)methanone
CID 18071803
2-(2,5-dimethylphenyl)sulfanyl-N-(2-piperazin-1-ylethyl)acetamide
CID 119448232
(2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone
CID 62514775
1,4-diazepan-1-yl-[3-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]methanone
CID 119418191
2-methyl-1-piperazin-1-yl-2-(2,3,5-trimethylphenoxy)propan-1-one
CID 39287253
1-(2,5-dimethylphenyl)sulfonyl-1,4,7-triazonane
CID 175127443
1-(2,5-dimethylphenyl)sulfonylpiperazine;hydrochloride
CID 119961871
2-[(1R)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-methylphenol
CID 171189973
N-(2,4-dimethylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507375

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one (CID 39288048) is 2-(2,5-dimethylphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one is Cc1ccc(C)c(SC(C)(C)C(=O)N2CCNCC2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one?
The InChIKey is PADHFWRHEGFVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-12-5-6-13(2)14(11-12)20-16(3,4)15(19)18-9-7-17-8-10-18/h5-6,11,17H,7-10H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one?
2-(2,5-dimethylphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one has a molecular weight of 292.45 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 39288048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).