[4-(2-methylsulfanylphenyl)piperazin-1-yl]-piperazin-1-ylmethanone

C16H24N4OS — CID 143176382

IUPAC[4-(2-methylsulfanylphenyl)piperazin-1-yl]-piperazin-1-ylmethanone
SMILESCSc1ccccc1N1CCN(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C16H24N4OS/c1-22-15-5-3-2-4-14(15)18-10-12-20(13-11-18)16(21)19-8-6-17-7-9-19/h2-5,17H,6-13H2,1H3
InChIKeyFNGPEFJVVUSKJK-UHFFFAOYSA-N
MW320.46 g/mol
LogP1.56
Rot. Bonds2

About [4-(2-methylsulfanylphenyl)piperazin-1-yl]-piperazin-1-ylmethanone

[4-(2-methylsulfanylphenyl)piperazin-1-yl]-piperazin-1-ylmethanone (PubChem CID 143176382) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is [4-(2-methylsulfanylphenyl)piperazin-1-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-(2-methylsulfanylphenyl)piperazin-1-yl]-piperazin-1-ylmethanone
PubChem CID143176382
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name[4-(2-methylsulfanylphenyl)piperazin-1-yl]-piperazin-1-ylmethanone
SMILESCSc1ccccc1N1CCN(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C16H24N4OS/c1-22-15-5-3-2-4-14(15)18-10-12-20(13-11-18)16(21)19-8-6-17-7-9-19/h2-5,17H,6-13H2,1H3
InChIKeyFNGPEFJVVUSKJK-UHFFFAOYSA-N
XLogP1.56
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylsulfanylphenyl)piperazine;hydrochloride
CID 76852196
methoxyethane;1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]ethanone
CID 144655686
2-methylsulfanyl-6-piperazin-1-ylbenzaldehyde
CID 157268238
1-(2-methylsulfanylphenyl)pyrrolidine
CID 67751478
N-(4-tert-butylphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 3690834
1-(2-methylsulfanylphenyl)-4-methylsulfonylpiperazine
CID 3824582
[4-(2-methylsulfanylphenyl)piperazin-1-yl]-[3-(2-phenylethynyl)phenyl]methanone
CID 69035982
3-methyl-4-(2-piperazin-1-ylphenyl)sulfanylbenzoic acid
CID 118753351
4-(2-methylsulfanylphenyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
CID 3497239
1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine;oxalic acid
CID 118277120
bis(1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine);oxalic acid
CID 172741870
N-(2-methoxy-5-methylphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 23881277

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylsulfanylphenyl)piperazin-1-yl]-piperazin-1-ylmethanone?
The IUPAC name of [4-(2-methylsulfanylphenyl)piperazin-1-yl]-piperazin-1-ylmethanone (CID 143176382) is [4-(2-methylsulfanylphenyl)piperazin-1-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-(2-methylsulfanylphenyl)piperazin-1-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-(2-methylsulfanylphenyl)piperazin-1-yl]-piperazin-1-ylmethanone is CSc1ccccc1N1CCN(C(=O)N2CCNCC2)CC1.
What is the InChIKey of [4-(2-methylsulfanylphenyl)piperazin-1-yl]-piperazin-1-ylmethanone?
The InChIKey is FNGPEFJVVUSKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-22-15-5-3-2-4-14(15)18-10-12-20(13-11-18)16(21)19-8-6-17-7-9-19/h2-5,17H,6-13H2,1H3.
What are the key properties of [4-(2-methylsulfanylphenyl)piperazin-1-yl]-piperazin-1-ylmethanone?
[4-(2-methylsulfanylphenyl)piperazin-1-yl]-piperazin-1-ylmethanone has a molecular weight of 320.46 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylsulfanylphenyl)piperazin-1-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 143176382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).