2-(1-methylsulfonylpiperidin-3-yl)ethanol

C8H17NO3S — CID 62358295

IUPAC2-(1-methylsulfonylpiperidin-3-yl)ethanol
SMILESCS(=O)(=O)N1CCCC(CCO)C1
InChIInChI=1S/C8H17NO3S/c1-13(11,12)9-5-2-3-8(7-9)4-6-10/h8,10H,2-7H2,1H3
InChIKeyBPIKILHIHUGHBS-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.04
Rot. Bonds3

About 2-(1-methylsulfonylpiperidin-3-yl)ethanol

2-(1-methylsulfonylpiperidin-3-yl)ethanol (PubChem CID 62358295) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-(1-methylsulfonylpiperidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-methylsulfonylpiperidin-3-yl)ethanol
PubChem CID62358295
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name2-(1-methylsulfonylpiperidin-3-yl)ethanol
SMILESCS(=O)(=O)N1CCCC(CCO)C1
InChIInChI=1S/C8H17NO3S/c1-13(11,12)9-5-2-3-8(7-9)4-6-10/h8,10H,2-7H2,1H3
InChIKeyBPIKILHIHUGHBS-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-(1-methylsulfonylpiperidin-3-yl)ethanol?
The IUPAC name of 2-(1-methylsulfonylpiperidin-3-yl)ethanol (CID 62358295) is 2-(1-methylsulfonylpiperidin-3-yl)ethanol.
What is the SMILES notation for 2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The canonical SMILES for 2-(1-methylsulfonylpiperidin-3-yl)ethanol is CS(=O)(=O)N1CCCC(CCO)C1.
What is the InChIKey of 2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The InChIKey is BPIKILHIHUGHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-13(11,12)9-5-2-3-8(7-9)4-6-10/h8,10H,2-7H2,1H3.
What are the key properties of 2-(1-methylsulfonylpiperidin-3-yl)ethanol?
2-(1-methylsulfonylpiperidin-3-yl)ethanol 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-(1-methylsulfonylpiperidin-3-yl)ethanol is sourced from PubChem (CID 62358295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).