(2-methyl-5-methylsulfanylphenyl)-(2-methylpiperazin-1-yl)methanone

C14H20N2OS — CID 119471531

IUPAC(2-methyl-5-methylsulfanylphenyl)-(2-methylpiperazin-1-yl)methanone
SMILESCSc1ccc(C)c(C(=O)N2CCNCC2C)c1
InChIInChI=1S/C14H20N2OS/c1-10-4-5-12(18-3)8-13(10)14(17)16-7-6-15-9-11(16)2/h4-5,8,11,15H,6-7,9H2,1-3H3
InChIKeyZWFLNZXFEXRHIJ-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.15
Rot. Bonds2

About (2-methyl-5-methylsulfanylphenyl)-(2-methylpiperazin-1-yl)methanone

(2-methyl-5-methylsulfanylphenyl)-(2-methylpiperazin-1-yl)methanone (PubChem CID 119471531) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is (2-methyl-5-methylsulfanylphenyl)-(2-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methyl-5-methylsulfanylphenyl)-(2-methylpiperazin-1-yl)methanone
PubChem CID119471531
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name(2-methyl-5-methylsulfanylphenyl)-(2-methylpiperazin-1-yl)methanone
SMILESCSc1ccc(C)c(C(=O)N2CCNCC2C)c1
InChIInChI=1S/C14H20N2OS/c1-10-4-5-12(18-3)8-13(10)14(17)16-7-6-15-9-11(16)2/h4-5,8,11,15H,6-7,9H2,1-3H3
InChIKeyZWFLNZXFEXRHIJ-UHFFFAOYSA-N
XLogP2.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-2-methylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 63047401
(2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704843
(2-fluoro-4-methylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472703
N-(4-fluorophenyl)-4-methyl-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119470414
(2-hydroxy-4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82756335
(2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705670
(5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472374
(2-bromo-5-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82756036
(2-bromo-5-methylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82755048
(2,4-dihydroxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672945
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705081
(4-bromo-2-fluorophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705543

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-methylsulfanylphenyl)-(2-methylpiperazin-1-yl)methanone?
The IUPAC name of (2-methyl-5-methylsulfanylphenyl)-(2-methylpiperazin-1-yl)methanone (CID 119471531) is (2-methyl-5-methylsulfanylphenyl)-(2-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methyl-5-methylsulfanylphenyl)-(2-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methyl-5-methylsulfanylphenyl)-(2-methylpiperazin-1-yl)methanone is CSc1ccc(C)c(C(=O)N2CCNCC2C)c1.
What is the InChIKey of (2-methyl-5-methylsulfanylphenyl)-(2-methylpiperazin-1-yl)methanone?
The InChIKey is ZWFLNZXFEXRHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10-4-5-12(18-3)8-13(10)14(17)16-7-6-15-9-11(16)2/h4-5,8,11,15H,6-7,9H2,1-3H3.
What are the key properties of (2-methyl-5-methylsulfanylphenyl)-(2-methylpiperazin-1-yl)methanone?
(2-methyl-5-methylsulfanylphenyl)-(2-methylpiperazin-1-yl)methanone has a molecular weight of 264.39 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-methylsulfanylphenyl)-(2-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 119471531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).