2-(3-methylpiperazin-1-yl)sulfonylethanol

C7H16N2O3S — CID 156866070

IUPAC2-(3-methylpiperazin-1-yl)sulfonylethanol
SMILESCC1CN(S(=O)(=O)CCO)CCN1
InChIInChI=1S/C7H16N2O3S/c1-7-6-9(3-2-8-7)13(11,12)5-4-10/h7-8,10H,2-6H2,1H3
InChIKeyMWJPORLAGVKOCP-UHFFFAOYSA-N
MW208.28 g/mol
LogP-1.40
Rot. Bonds3

About 2-(3-methylpiperazin-1-yl)sulfonylethanol

2-(3-methylpiperazin-1-yl)sulfonylethanol (PubChem CID 156866070) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(3-methylpiperazin-1-yl)sulfonylethanol.

Molecular Properties

Compound Name2-(3-methylpiperazin-1-yl)sulfonylethanol
PubChem CID156866070
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name2-(3-methylpiperazin-1-yl)sulfonylethanol
SMILESCC1CN(S(=O)(=O)CCO)CCN1
InChIInChI=1S/C7H16N2O3S/c1-7-6-9(3-2-8-7)13(11,12)5-4-10/h7-8,10H,2-6H2,1H3
InChIKeyMWJPORLAGVKOCP-UHFFFAOYSA-N
XLogP-1.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperazin-1-yl)sulfonylethanol?
The IUPAC name of 2-(3-methylpiperazin-1-yl)sulfonylethanol (CID 156866070) is 2-(3-methylpiperazin-1-yl)sulfonylethanol.
What is the SMILES notation for 2-(3-methylpiperazin-1-yl)sulfonylethanol?
The canonical SMILES for 2-(3-methylpiperazin-1-yl)sulfonylethanol is CC1CN(S(=O)(=O)CCO)CCN1.
What is the InChIKey of 2-(3-methylpiperazin-1-yl)sulfonylethanol?
The InChIKey is MWJPORLAGVKOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-7-6-9(3-2-8-7)13(11,12)5-4-10/h7-8,10H,2-6H2,1H3.
What are the key properties of 2-(3-methylpiperazin-1-yl)sulfonylethanol?
2-(3-methylpiperazin-1-yl)sulfonylethanol has a molecular weight of 208.28 g/mol, XLogP of -1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperazin-1-yl)sulfonylethanol is sourced from PubChem (CID 156866070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).