2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethanol

C9H20N2O4S — CID 62994663

IUPAC2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethanol
SMILESCS(=O)(=O)N1CCN(CCOCCO)CC1
InChIInChI=1S/C9H20N2O4S/c1-16(13,14)11-4-2-10(3-5-11)6-8-15-9-7-12/h12H,2-9H2,1H3
InChIKeyCOOBNBCMNGRHJJ-UHFFFAOYSA-N
MW252.34 g/mol
LogP-1.43
Rot. Bonds6

About 2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethanol

2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethanol (PubChem CID 62994663) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethanol
PubChem CID62994663
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethanol
SMILESCS(=O)(=O)N1CCN(CCOCCO)CC1
InChIInChI=1S/C9H20N2O4S/c1-16(13,14)11-4-2-10(3-5-11)6-8-15-9-7-12/h12H,2-9H2,1H3
InChIKeyCOOBNBCMNGRHJJ-UHFFFAOYSA-N
XLogP-1.43
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-1.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethanol (CID 62994663) is 2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethanol is CS(=O)(=O)N1CCN(CCOCCO)CC1.
What is the InChIKey of 2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethanol?
The InChIKey is COOBNBCMNGRHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-16(13,14)11-4-2-10(3-5-11)6-8-15-9-7-12/h12H,2-9H2,1H3.
What are the key properties of 2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethanol?
2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethanol has a molecular weight of 252.34 g/mol, XLogP of -1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethanol is sourced from PubChem (CID 62994663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).