2-methyl-2-(2-methylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one

C15H22N2OS — CID 39284870

IUPAC2-methyl-2-(2-methylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one
SMILESCc1ccccc1SC(C)(C)C(=O)N1CCNCC1
InChIInChI=1S/C15H22N2OS/c1-12-6-4-5-7-13(12)19-15(2,3)14(18)17-10-8-16-9-11-17/h4-7,16H,8-11H2,1-3H3
InChIKeyFJRKUKQDPDEYPQ-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.30
Rot. Bonds3

About 2-methyl-2-(2-methylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one

2-methyl-2-(2-methylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one (PubChem CID 39284870) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-methyl-2-(2-methylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-2-(2-methylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one
PubChem CID39284870
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-methyl-2-(2-methylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one
SMILESCc1ccccc1SC(C)(C)C(=O)N1CCNCC1
InChIInChI=1S/C15H22N2OS/c1-12-6-4-5-7-13(12)19-15(2,3)14(18)17-10-8-16-9-11-17/h4-7,16H,8-11H2,1-3H3
InChIKeyFJRKUKQDPDEYPQ-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one
CID 39288048
2-(2-methoxyphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one
CID 39288441
3-(2-methylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one
CID 39282675
2-(4-fluoro-3-methylphenyl)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 82303762
2,2-dimethyl-1-[4-[2-(2-methylphenyl)sulfanylacetyl]piperazin-1-yl]propan-1-one
CID 134021519
ethyl 2-methyl-2-(2-methylphenyl)sulfanylpropanoate;dihydrate
CID 143618447
1-(1,4-diazepan-1-yl)-2,2-dimethyl-5-phenylpentan-1-one
CID 119414461
1-(2,2-dimethyl-3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
CID 39147665
2-(N-ethylanilino)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 39284199
2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708758
2-(3-chlorophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119400424
2,2-difluoro-1-piperazin-1-ylpropan-1-one
CID 116840399

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-methyl-2-(2-methylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one (CID 39284870) is 2-methyl-2-(2-methylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-methyl-2-(2-methylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-methyl-2-(2-methylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one is Cc1ccccc1SC(C)(C)C(=O)N1CCNCC1.
What is the InChIKey of 2-methyl-2-(2-methylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one?
The InChIKey is FJRKUKQDPDEYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-12-6-4-5-7-13(12)19-15(2,3)14(18)17-10-8-16-9-11-17/h4-7,16H,8-11H2,1-3H3.
What are the key properties of 2-methyl-2-(2-methylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one?
2-methyl-2-(2-methylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one has a molecular weight of 278.42 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 39284870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).