1-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)sulfanylethanone

C15H22N2OS — CID 977706

IUPAC1-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)sulfanylethanone
SMILESCCN1CCN(C(=O)CSc2ccc(C)cc2)CC1
InChIInChI=1S/C15H22N2OS/c1-3-16-8-10-17(11-9-16)15(18)12-19-14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3
InChIKeyKFUODRYBCPAQDZ-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.25
Rot. Bonds4

About 1-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)sulfanylethanone

1-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)sulfanylethanone (PubChem CID 977706) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)sulfanylethanone
PubChem CID977706
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)sulfanylethanone
SMILESCCN1CCN(C(=O)CSc2ccc(C)cc2)CC1
InChIInChI=1S/C15H22N2OS/c1-3-16-8-10-17(11-9-16)15(18)12-19-14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3
InChIKeyKFUODRYBCPAQDZ-UHFFFAOYSA-N
XLogP2.25
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)sulfanylethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)sulfanylethanone (CID 977706) is 1-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)sulfanylethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)sulfanylethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)sulfanylethanone is CCN1CCN(C(=O)CSc2ccc(C)cc2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)sulfanylethanone?
The InChIKey is KFUODRYBCPAQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-3-16-8-10-17(11-9-16)15(18)12-19-14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)sulfanylethanone?
1-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)sulfanylethanone has a molecular weight of 278.42 g/mol, XLogP of 2.25, 4 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)sulfanylethanone is sourced from PubChem (CID 977706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).