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

C15H22N2O2S — CID 39288441

IUPAC2-(2-methoxyphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one
SMILESCOc1ccccc1SC(C)(C)C(=O)N1CCNCC1
InChIInChI=1S/C15H22N2O2S/c1-15(2,14(18)17-10-8-16-9-11-17)20-13-7-5-4-6-12(13)19-3/h4-7,16H,8-11H2,1-3H3
InChIKeyWIVJYNPHXPMJFH-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.00
Rot. Bonds4

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

2-(2-methoxyphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one (PubChem CID 39288441) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2-methoxyphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one
PubChem CID39288441
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-(2-methoxyphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one
SMILESCOc1ccccc1SC(C)(C)C(=O)N1CCNCC1
InChIInChI=1S/C15H22N2O2S/c1-15(2,14(18)17-10-8-16-9-11-17)20-13-7-5-4-6-12(13)19-3/h4-7,16H,8-11H2,1-3H3
InChIKeyWIVJYNPHXPMJFH-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(2-methylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one
CID 39284870
2-(2,5-dimethylphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one
CID 39288048
2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride
CID 119400813
2-(2-methoxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 24705201
2-(5-fluoro-2-methoxyphenyl)-2-hydroxy-1-piperazin-1-ylethanone
CID 82092529
1-(2-methoxyphenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
CID 116599315
3-(2-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 60996901
(E)-1-(2-methoxyphenyl)-4-piperazin-1-ylbut-2-ene-1,4-dione
CID 171527798
1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599250
[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl] piperazine-1-carboxylate
CID 90865323
N-[3-(2-methoxyphenyl)-3-methylpentyl]piperazine-1-carboxamide
CID 131922320
1-(1,4-diazepan-1-yl)-3-(2-methoxyphenyl)propan-1-one
CID 82090865

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-(2-methoxyphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one (CID 39288441) is 2-(2-methoxyphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2-methoxyphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-(2-methoxyphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one is COc1ccccc1SC(C)(C)C(=O)N1CCNCC1.
What is the InChIKey of 2-(2-methoxyphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one?
The InChIKey is WIVJYNPHXPMJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-15(2,14(18)17-10-8-16-9-11-17)20-13-7-5-4-6-12(13)19-3/h4-7,16H,8-11H2,1-3H3.
What are the key properties of 2-(2-methoxyphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one?
2-(2-methoxyphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one has a molecular weight of 294.42 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)sulfanyl-2-methyl-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 39288441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).