1-(4-ethylpiperazin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone

C16H24N2OS — CID 53279617

IUPAC1-(4-ethylpiperazin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone
SMILESCCN1CCN(C(=O)CSCc2ccc(C)cc2)CC1
InChIInChI=1S/C16H24N2OS/c1-3-17-8-10-18(11-9-17)16(19)13-20-12-15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3
InChIKeyLRUXTXSNTCIZIP-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.39
Rot. Bonds5

About 1-(4-ethylpiperazin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone

1-(4-ethylpiperazin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone (PubChem CID 53279617) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone
PubChem CID53279617
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone
SMILESCCN1CCN(C(=O)CSCc2ccc(C)cc2)CC1
InChIInChI=1S/C16H24N2OS/c1-3-17-8-10-18(11-9-17)16(19)13-20-12-15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3
InChIKeyLRUXTXSNTCIZIP-UHFFFAOYSA-N
XLogP2.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-[(4-methylphenyl)methylsulfanyl]acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496652
1-[4-[2-[(4-methylphenyl)methylsulfanyl]acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55452319
2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(4-methylbenzoyl)piperazin-1-yl]ethanone
CID 39566324
ethyl 1-[2-[(4-methylphenyl)methylsulfanyl]acetyl]piperidine-4-carboxylate
CID 4269338
2-[(4-methylphenyl)methylsulfanyl]-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 55469908
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-methylphenyl)methylsulfanyl]ethanone
CID 4229850
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(4-methylphenyl)methylsulfanyl]ethanone
CID 1208587
2-[2-(4-ethyl-1,4-diazepan-1-yl)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 56786191
1-(4-acetylpiperazin-1-yl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone
CID 78760242
4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
CID 108891161
2-[(4-bromophenyl)methylsulfanyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 2972310
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone (CID 53279617) is 1-(4-ethylpiperazin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone is CCN1CCN(C(=O)CSCc2ccc(C)cc2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone?
The InChIKey is LRUXTXSNTCIZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-17-8-10-18(11-9-17)16(19)13-20-12-15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone?
1-(4-ethylpiperazin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone has a molecular weight of 292.45 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone is sourced from PubChem (CID 53279617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).