2-(4-methylpiperidin-1-yl)sulfonylethanol

C8H17NO3S — CID 58959902

IUPAC2-(4-methylpiperidin-1-yl)sulfonylethanol
SMILESCC1CCN(S(=O)(=O)CCO)CC1
InChIInChI=1S/C8H17NO3S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h8,10H,2-7H2,1H3
InChIKeyWSXCHMMVNAASJQ-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.04
Rot. Bonds3

About 2-(4-methylpiperidin-1-yl)sulfonylethanol

2-(4-methylpiperidin-1-yl)sulfonylethanol (PubChem CID 58959902) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)sulfonylethanol.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)sulfonylethanol
PubChem CID58959902
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name2-(4-methylpiperidin-1-yl)sulfonylethanol
SMILESCC1CCN(S(=O)(=O)CCO)CC1
InChIInChI=1S/C8H17NO3S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h8,10H,2-7H2,1H3
InChIKeyWSXCHMMVNAASJQ-UHFFFAOYSA-N
XLogP0.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)sulfonylethanol?
The IUPAC name of 2-(4-methylpiperidin-1-yl)sulfonylethanol (CID 58959902) is 2-(4-methylpiperidin-1-yl)sulfonylethanol.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)sulfonylethanol?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)sulfonylethanol is CC1CCN(S(=O)(=O)CCO)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)sulfonylethanol?
The InChIKey is WSXCHMMVNAASJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h8,10H,2-7H2,1H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)sulfonylethanol?
2-(4-methylpiperidin-1-yl)sulfonylethanol has a molecular weight of 207.29 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)sulfonylethanol is sourced from PubChem (CID 58959902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).