[1-(2-methylsulfonylethyl)piperidin-3-yl]methanol

C9H19NO3S — CID 57007591

IUPAC[1-(2-methylsulfonylethyl)piperidin-3-yl]methanol
SMILESCS(=O)(=O)CCN1CCCC(CO)C1
InChIInChI=1S/C9H19NO3S/c1-14(12,13)6-5-10-4-2-3-9(7-10)8-11/h9,11H,2-8H2,1H3
InChIKeyGAPJFSJYLFMCGP-UHFFFAOYSA-N
MW221.32 g/mol
LogP-0.26
Rot. Bonds4

About [1-(2-methylsulfonylethyl)piperidin-3-yl]methanol

[1-(2-methylsulfonylethyl)piperidin-3-yl]methanol (PubChem CID 57007591) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is [1-(2-methylsulfonylethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-methylsulfonylethyl)piperidin-3-yl]methanol
PubChem CID57007591
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name[1-(2-methylsulfonylethyl)piperidin-3-yl]methanol
SMILESCS(=O)(=O)CCN1CCCC(CO)C1
InChIInChI=1S/C9H19NO3S/c1-14(12,13)6-5-10-4-2-3-9(7-10)8-11/h9,11H,2-8H2,1H3
InChIKeyGAPJFSJYLFMCGP-UHFFFAOYSA-N
XLogP-0.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylsulfonylethyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(2-methylsulfonylethyl)piperidin-3-yl]methanol (CID 57007591) is [1-(2-methylsulfonylethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(2-methylsulfonylethyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(2-methylsulfonylethyl)piperidin-3-yl]methanol is CS(=O)(=O)CCN1CCCC(CO)C1.
What is the InChIKey of [1-(2-methylsulfonylethyl)piperidin-3-yl]methanol?
The InChIKey is GAPJFSJYLFMCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-14(12,13)6-5-10-4-2-3-9(7-10)8-11/h9,11H,2-8H2,1H3.
What are the key properties of [1-(2-methylsulfonylethyl)piperidin-3-yl]methanol?
[1-(2-methylsulfonylethyl)piperidin-3-yl]methanol has a molecular weight of 221.32 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylsulfonylethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 57007591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).