3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol

C11H23NO3S — CID 79609280

IUPAC3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol
SMILESCC(C)C(O)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H23NO3S/c1-9(2)11(13)7-10-5-4-6-12(8-10)16(3,14)15/h9-11,13H,4-8H2,1-3H3
InChIKeyLXLJHULPEFHZAY-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.07
Rot. Bonds4

About 3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol

3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol (PubChem CID 79609280) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol
PubChem CID79609280
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol
SMILESCC(C)C(O)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H23NO3S/c1-9(2)11(13)7-10-5-4-6-12(8-10)16(3,14)15/h9-11,13H,4-8H2,1-3H3
InChIKeyLXLJHULPEFHZAY-UHFFFAOYSA-N
XLogP1.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol?
The IUPAC name of 3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol (CID 79609280) is 3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol.
What is the SMILES notation for 3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol?
The canonical SMILES for 3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol is CC(C)C(O)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol?
The InChIKey is LXLJHULPEFHZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-9(2)11(13)7-10-5-4-6-12(8-10)16(3,14)15/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol?
3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol has a molecular weight of 249.38 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol is sourced from PubChem (CID 79609280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).