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

C9H18N2O4S — CID 61344440

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfonylethanone
SMILESCS(=O)(=O)CC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C9H18N2O4S/c1-16(14,15)8-9(13)11-4-2-10(3-5-11)6-7-12/h12H,2-8H2,1H3
InChIKeyLZZYFFJMDOTQOV-UHFFFAOYSA-N
MW250.32 g/mol
LogP-1.83
Rot. Bonds4

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

1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfonylethanone (PubChem CID 61344440) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfonylethanone.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfonylethanone
PubChem CID61344440
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfonylethanone
SMILESCS(=O)(=O)CC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C9H18N2O4S/c1-16(14,15)8-9(13)11-4-2-10(3-5-11)6-7-12/h12H,2-8H2,1H3
InChIKeyLZZYFFJMDOTQOV-UHFFFAOYSA-N
XLogP-1.83
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-1.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfonylethanone?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfonylethanone (CID 61344440) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfonylethanone.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfonylethanone?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfonylethanone is CS(=O)(=O)CC(=O)N1CCN(CCO)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfonylethanone?
The InChIKey is LZZYFFJMDOTQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-16(14,15)8-9(13)11-4-2-10(3-5-11)6-7-12/h12H,2-8H2,1H3.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfonylethanone?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfonylethanone has a molecular weight of 250.32 g/mol, XLogP of -1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfonylethanone is sourced from PubChem (CID 61344440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).