1-methylsulfonylpiperidin-4-ol

C6H13NO3S — CID 22272981

IUPAC1-methylsulfonylpiperidin-4-ol
SMILESCS(=O)(=O)N1CCC(O)CC1
InChIInChI=1S/C6H13NO3S/c1-11(9,10)7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3
InChIKeyUPEFDWJLNXWMOW-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.60
Rot. Bonds1

About 1-methylsulfonylpiperidin-4-ol

1-methylsulfonylpiperidin-4-ol (PubChem CID 22272981) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 1-methylsulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-methylsulfonylpiperidin-4-ol
PubChem CID22272981
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name1-methylsulfonylpiperidin-4-ol
SMILESCS(=O)(=O)N1CCC(O)CC1
InChIInChI=1S/C6H13NO3S/c1-11(9,10)7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3
InChIKeyUPEFDWJLNXWMOW-UHFFFAOYSA-N
XLogP-0.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylpiperidin-4-ol?
The IUPAC name of 1-methylsulfonylpiperidin-4-ol (CID 22272981) is 1-methylsulfonylpiperidin-4-ol.
What is the SMILES notation for 1-methylsulfonylpiperidin-4-ol?
The canonical SMILES for 1-methylsulfonylpiperidin-4-ol is CS(=O)(=O)N1CCC(O)CC1.
What is the InChIKey of 1-methylsulfonylpiperidin-4-ol?
The InChIKey is UPEFDWJLNXWMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-11(9,10)7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3.
What are the key properties of 1-methylsulfonylpiperidin-4-ol?
1-methylsulfonylpiperidin-4-ol has a molecular weight of 179.24 g/mol, XLogP of -0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylpiperidin-4-ol is sourced from PubChem (CID 22272981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).