1-[4-(2-methylpropyl)piperazin-1-yl]-2-methylsulfonylethanone

C11H22N2O3S — CID 58234000

IUPAC1-[4-(2-methylpropyl)piperazin-1-yl]-2-methylsulfonylethanone
SMILESCC(C)CN1CCN(C(=O)CS(C)(=O)=O)CC1
InChIInChI=1S/C11H22N2O3S/c1-10(2)8-12-4-6-13(7-5-12)11(14)9-17(3,15)16/h10H,4-9H2,1-3H3
InChIKeyPFFQDYPKWMBOPF-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.17
Rot. Bonds4

About 1-[4-(2-methylpropyl)piperazin-1-yl]-2-methylsulfonylethanone

1-[4-(2-methylpropyl)piperazin-1-yl]-2-methylsulfonylethanone (PubChem CID 58234000) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)piperazin-1-yl]-2-methylsulfonylethanone.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)piperazin-1-yl]-2-methylsulfonylethanone
PubChem CID58234000
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name1-[4-(2-methylpropyl)piperazin-1-yl]-2-methylsulfonylethanone
SMILESCC(C)CN1CCN(C(=O)CS(C)(=O)=O)CC1
InChIInChI=1S/C11H22N2O3S/c1-10(2)8-12-4-6-13(7-5-12)11(14)9-17(3,15)16/h10H,4-9H2,1-3H3
InChIKeyPFFQDYPKWMBOPF-UHFFFAOYSA-N
XLogP-0.17
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)piperazin-1-yl]-2-methylsulfonylethanone?
The IUPAC name of 1-[4-(2-methylpropyl)piperazin-1-yl]-2-methylsulfonylethanone (CID 58234000) is 1-[4-(2-methylpropyl)piperazin-1-yl]-2-methylsulfonylethanone.
What is the SMILES notation for 1-[4-(2-methylpropyl)piperazin-1-yl]-2-methylsulfonylethanone?
The canonical SMILES for 1-[4-(2-methylpropyl)piperazin-1-yl]-2-methylsulfonylethanone is CC(C)CN1CCN(C(=O)CS(C)(=O)=O)CC1.
What is the InChIKey of 1-[4-(2-methylpropyl)piperazin-1-yl]-2-methylsulfonylethanone?
The InChIKey is PFFQDYPKWMBOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-10(2)8-12-4-6-13(7-5-12)11(14)9-17(3,15)16/h10H,4-9H2,1-3H3.
What are the key properties of 1-[4-(2-methylpropyl)piperazin-1-yl]-2-methylsulfonylethanone?
1-[4-(2-methylpropyl)piperazin-1-yl]-2-methylsulfonylethanone has a molecular weight of 262.37 g/mol, XLogP of -0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)piperazin-1-yl]-2-methylsulfonylethanone is sourced from PubChem (CID 58234000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).