3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol

C11H17NO3S2 — CID 113343869

IUPAC3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol
SMILESCc1ccc(S(=O)(=O)N2CCCC(C)(O)C2)s1
InChIInChI=1S/C11H17NO3S2/c1-9-4-5-10(16-9)17(14,15)12-7-3-6-11(2,13)8-12/h4-5,13H,3,6-8H2,1-2H3
InChIKeyFUMYKNPVJIAUIQ-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.59
Rot. Bonds2

About 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol

3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol (PubChem CID 113343869) has the molecular formula C11H17NO3S2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol
PubChem CID113343869
Molecular FormulaC11H17NO3S2
Molecular Weight275.39 g/mol
Exact Mass275.06
IUPAC Name3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol
SMILESCc1ccc(S(=O)(=O)N2CCCC(C)(O)C2)s1
InChIInChI=1S/C11H17NO3S2/c1-9-4-5-10(16-9)17(14,15)12-7-3-6-11(2,13)8-12/h4-5,13H,3,6-8H2,1-2H3
InChIKeyFUMYKNPVJIAUIQ-UHFFFAOYSA-N
XLogP1.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol?
The IUPAC name of 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol (CID 113343869) is 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol.
What is the SMILES notation for 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol?
The canonical SMILES for 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol is Cc1ccc(S(=O)(=O)N2CCCC(C)(O)C2)s1.
What is the InChIKey of 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol?
The InChIKey is FUMYKNPVJIAUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S2/c1-9-4-5-10(16-9)17(14,15)12-7-3-6-11(2,13)8-12/h4-5,13H,3,6-8H2,1-2H3.
What are the key properties of 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol?
3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol has a molecular weight of 275.39 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 113343869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).