2-[methyl(2-phenylsulfanylethyl)amino]-1-piperazin-1-ylethanone

C15H23N3OS — CID 61031966

IUPAC2-[methyl(2-phenylsulfanylethyl)amino]-1-piperazin-1-ylethanone
SMILESCN(CCSc1ccccc1)CC(=O)N1CCNCC1
InChIInChI=1S/C15H23N3OS/c1-17(11-12-20-14-5-3-2-4-6-14)13-15(19)18-9-7-16-8-10-18/h2-6,16H,7-13H2,1H3
InChIKeyJQHAHOFKKFGFMU-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.14
Rot. Bonds6

About 2-[methyl(2-phenylsulfanylethyl)amino]-1-piperazin-1-ylethanone

2-[methyl(2-phenylsulfanylethyl)amino]-1-piperazin-1-ylethanone (PubChem CID 61031966) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-[methyl(2-phenylsulfanylethyl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl(2-phenylsulfanylethyl)amino]-1-piperazin-1-ylethanone
PubChem CID61031966
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-[methyl(2-phenylsulfanylethyl)amino]-1-piperazin-1-ylethanone
SMILESCN(CCSc1ccccc1)CC(=O)N1CCNCC1
InChIInChI=1S/C15H23N3OS/c1-17(11-12-20-14-5-3-2-4-6-14)13-15(19)18-9-7-16-8-10-18/h2-6,16H,7-13H2,1H3
InChIKeyJQHAHOFKKFGFMU-UHFFFAOYSA-N
XLogP1.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylsulfanylacetamide;hydrochloride
CID 119454684
N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-phenylacetamide
CID 119915329
N,N-dimethyl-2-[methyl(2-phenylsulfanylethyl)amino]acetamide
CID 78962685
2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-piperazin-1-ylethanone
CID 61018285
2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone
CID 61018802
N-benzyl-N-ethyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915195
2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 119915080
2-(dibenzylamino)-1-piperazin-1-ylethanone
CID 67567053
2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 54904212
2-[3-fluoropropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 81113401
2-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylethanone
CID 54960870
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-phenylsulfanylethyl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[methyl(2-phenylsulfanylethyl)amino]-1-piperazin-1-ylethanone (CID 61031966) is 2-[methyl(2-phenylsulfanylethyl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[methyl(2-phenylsulfanylethyl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[methyl(2-phenylsulfanylethyl)amino]-1-piperazin-1-ylethanone is CN(CCSc1ccccc1)CC(=O)N1CCNCC1.
What is the InChIKey of 2-[methyl(2-phenylsulfanylethyl)amino]-1-piperazin-1-ylethanone?
The InChIKey is JQHAHOFKKFGFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-17(11-12-20-14-5-3-2-4-6-14)13-15(19)18-9-7-16-8-10-18/h2-6,16H,7-13H2,1H3.
What are the key properties of 2-[methyl(2-phenylsulfanylethyl)amino]-1-piperazin-1-ylethanone?
2-[methyl(2-phenylsulfanylethyl)amino]-1-piperazin-1-ylethanone has a molecular weight of 293.44 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-phenylsulfanylethyl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 61031966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).