1-(2-ethylsulfonylethyl)piperidin-3-ol

C9H19NO3S — CID 62020762

IUPAC1-(2-ethylsulfonylethyl)piperidin-3-ol
SMILESCCS(=O)(=O)CCN1CCCC(O)C1
InChIInChI=1S/C9H19NO3S/c1-2-14(12,13)7-6-10-5-3-4-9(11)8-10/h9,11H,2-8H2,1H3
InChIKeyIECSGTGIEJOTAQ-UHFFFAOYSA-N
MW221.32 g/mol
LogP-0.12
Rot. Bonds4

About 1-(2-ethylsulfonylethyl)piperidin-3-ol

1-(2-ethylsulfonylethyl)piperidin-3-ol (PubChem CID 62020762) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(2-ethylsulfonylethyl)piperidin-3-ol
PubChem CID62020762
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name1-(2-ethylsulfonylethyl)piperidin-3-ol
SMILESCCS(=O)(=O)CCN1CCCC(O)C1
InChIInChI=1S/C9H19NO3S/c1-2-14(12,13)7-6-10-5-3-4-9(11)8-10/h9,11H,2-8H2,1H3
InChIKeyIECSGTGIEJOTAQ-UHFFFAOYSA-N
XLogP-0.12
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 ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethyl)piperidin-3-ol?
The IUPAC name of 1-(2-ethylsulfonylethyl)piperidin-3-ol (CID 62020762) is 1-(2-ethylsulfonylethyl)piperidin-3-ol.
What is the SMILES notation for 1-(2-ethylsulfonylethyl)piperidin-3-ol?
The canonical SMILES for 1-(2-ethylsulfonylethyl)piperidin-3-ol is CCS(=O)(=O)CCN1CCCC(O)C1.
What is the InChIKey of 1-(2-ethylsulfonylethyl)piperidin-3-ol?
The InChIKey is IECSGTGIEJOTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-2-14(12,13)7-6-10-5-3-4-9(11)8-10/h9,11H,2-8H2,1H3.
What are the key properties of 1-(2-ethylsulfonylethyl)piperidin-3-ol?
1-(2-ethylsulfonylethyl)piperidin-3-ol has a molecular weight of 221.32 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethyl)piperidin-3-ol is sourced from PubChem (CID 62020762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).