3-[1-(2-methylsulfonylethyl)piperidin-3-yl]propan-1-ol

C11H23NO3S — CID 54527033

IUPAC3-[1-(2-methylsulfonylethyl)piperidin-3-yl]propan-1-ol
SMILESCS(=O)(=O)CCN1CCCC(CCCO)C1
InChIInChI=1S/C11H23NO3S/c1-16(14,15)9-7-12-6-2-4-11(10-12)5-3-8-13/h11,13H,2-10H2,1H3
InChIKeyAJONLRRMLWOUAV-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.52
Rot. Bonds6

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

3-[1-(2-methylsulfonylethyl)piperidin-3-yl]propan-1-ol (PubChem CID 54527033) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 3-[1-(2-methylsulfonylethyl)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(2-methylsulfonylethyl)piperidin-3-yl]propan-1-ol
PubChem CID54527033
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name3-[1-(2-methylsulfonylethyl)piperidin-3-yl]propan-1-ol
SMILESCS(=O)(=O)CCN1CCCC(CCCO)C1
InChIInChI=1S/C11H23NO3S/c1-16(14,15)9-7-12-6-2-4-11(10-12)5-3-8-13/h11,13H,2-10H2,1H3
InChIKeyAJONLRRMLWOUAV-UHFFFAOYSA-N
XLogP0.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylsulfonylethyl)piperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[1-(2-methylsulfonylethyl)piperidin-3-yl]propan-1-ol (CID 54527033) is 3-[1-(2-methylsulfonylethyl)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(2-methylsulfonylethyl)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[1-(2-methylsulfonylethyl)piperidin-3-yl]propan-1-ol is CS(=O)(=O)CCN1CCCC(CCCO)C1.
What is the InChIKey of 3-[1-(2-methylsulfonylethyl)piperidin-3-yl]propan-1-ol?
The InChIKey is AJONLRRMLWOUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-16(14,15)9-7-12-6-2-4-11(10-12)5-3-8-13/h11,13H,2-10H2,1H3.
What are the key properties of 3-[1-(2-methylsulfonylethyl)piperidin-3-yl]propan-1-ol?
3-[1-(2-methylsulfonylethyl)piperidin-3-yl]propan-1-ol has a molecular weight of 249.38 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylsulfonylethyl)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 54527033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).