2-(4-methylsulfonylpiperazin-1-yl)ethanol

C7H16N2O3S — CID 2762426

IUPAC2-(4-methylsulfonylpiperazin-1-yl)ethanol
SMILESCS(=O)(=O)N1CCN(CCO)CC1
InChIInChI=1S/C7H16N2O3S/c1-13(11,12)9-4-2-8(3-5-9)6-7-10/h10H,2-7H2,1H3
InChIKeyMJHXGCHBEBSXQK-UHFFFAOYSA-N
MW208.28 g/mol
LogP-1.44
Rot. Bonds3

About 2-(4-methylsulfonylpiperazin-1-yl)ethanol

2-(4-methylsulfonylpiperazin-1-yl)ethanol (PubChem CID 2762426) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(4-methylsulfonylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-methylsulfonylpiperazin-1-yl)ethanol
PubChem CID2762426
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name2-(4-methylsulfonylpiperazin-1-yl)ethanol
SMILESCS(=O)(=O)N1CCN(CCO)CC1
InChIInChI=1S/C7H16N2O3S/c1-13(11,12)9-4-2-8(3-5-9)6-7-10/h10H,2-7H2,1H3
InChIKeyMJHXGCHBEBSXQK-UHFFFAOYSA-N
XLogP-1.44
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-1.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)ethanol (CID 2762426) is 2-(4-methylsulfonylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(4-methylsulfonylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(4-methylsulfonylpiperazin-1-yl)ethanol is CS(=O)(=O)N1CCN(CCO)CC1.
What is the InChIKey of 2-(4-methylsulfonylpiperazin-1-yl)ethanol?
The InChIKey is MJHXGCHBEBSXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-13(11,12)9-4-2-8(3-5-9)6-7-10/h10H,2-7H2,1H3.
What are the key properties of 2-(4-methylsulfonylpiperazin-1-yl)ethanol?
2-(4-methylsulfonylpiperazin-1-yl)ethanol has a molecular weight of 208.28 g/mol, XLogP of -1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylpiperazin-1-yl)ethanol is sourced from PubChem (CID 2762426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).