1-(2-methylpiperazin-1-yl)-2-phenylsulfanylethanone

C13H18N2OS — CID 62672588

IUPAC1-(2-methylpiperazin-1-yl)-2-phenylsulfanylethanone
SMILESCC1CNCCN1C(=O)CSc1ccccc1
InChIInChI=1S/C13H18N2OS/c1-11-9-14-7-8-15(11)13(16)10-17-12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3
InChIKeyJAWFFXWRSDEKCE-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.60
Rot. Bonds3

About 1-(2-methylpiperazin-1-yl)-2-phenylsulfanylethanone

1-(2-methylpiperazin-1-yl)-2-phenylsulfanylethanone (PubChem CID 62672588) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-(2-methylpiperazin-1-yl)-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-(2-methylpiperazin-1-yl)-2-phenylsulfanylethanone
PubChem CID62672588
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name1-(2-methylpiperazin-1-yl)-2-phenylsulfanylethanone
SMILESCC1CNCCN1C(=O)CSc1ccccc1
InChIInChI=1S/C13H18N2OS/c1-11-9-14-7-8-15(11)13(16)10-17-12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3
InChIKeyJAWFFXWRSDEKCE-UHFFFAOYSA-N
XLogP1.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone
CID 119470861
1-(2-methylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone
CID 119470392
1-(2,6-dimethylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 63909611
3-amino-1-(2-methylpiperazin-1-yl)-3-phenylpropan-1-one;dihydrochloride
CID 122151289
3-(4-bromophenyl)sulfanyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119473732
1-(2-methylpiperazin-1-yl)-2-phenylbutan-1-one
CID 62673993
2-(4-bromo-2-methylphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone
CID 119470906
2-(4-bromo-2-methylphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119470905
(2-methylpiperazin-1-yl)-(2-phenylcyclopropyl)methanone
CID 81478367
2-(4-hydroxyphenyl)sulfanyl-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120734879
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfanylethanone;hydrochloride
CID 120735083

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperazin-1-yl)-2-phenylsulfanylethanone?
The IUPAC name of 1-(2-methylpiperazin-1-yl)-2-phenylsulfanylethanone (CID 62672588) is 1-(2-methylpiperazin-1-yl)-2-phenylsulfanylethanone.
What is the SMILES notation for 1-(2-methylpiperazin-1-yl)-2-phenylsulfanylethanone?
The canonical SMILES for 1-(2-methylpiperazin-1-yl)-2-phenylsulfanylethanone is CC1CNCCN1C(=O)CSc1ccccc1.
What is the InChIKey of 1-(2-methylpiperazin-1-yl)-2-phenylsulfanylethanone?
The InChIKey is JAWFFXWRSDEKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-11-9-14-7-8-15(11)13(16)10-17-12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3.
What are the key properties of 1-(2-methylpiperazin-1-yl)-2-phenylsulfanylethanone?
1-(2-methylpiperazin-1-yl)-2-phenylsulfanylethanone has a molecular weight of 250.37 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperazin-1-yl)-2-phenylsulfanylethanone is sourced from PubChem (CID 62672588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).