4-methyl-1-piperidin-3-ylsulfonylpiperidin-3-ol

C11H22N2O3S — CID 102959688

IUPAC4-methyl-1-piperidin-3-ylsulfonylpiperidin-3-ol
SMILESCC1CCN(S(=O)(=O)C2CCCNC2)CC1O
InChIInChI=1S/C11H22N2O3S/c1-9-4-6-13(8-11(9)14)17(15,16)10-3-2-5-12-7-10/h9-12,14H,2-8H2,1H3
InChIKeyXJLBDAKIOWLOAW-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.23
Rot. Bonds2

About 4-methyl-1-piperidin-3-ylsulfonylpiperidin-3-ol

4-methyl-1-piperidin-3-ylsulfonylpiperidin-3-ol (PubChem CID 102959688) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 4-methyl-1-piperidin-3-ylsulfonylpiperidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-piperidin-3-ylsulfonylpiperidin-3-ol
PubChem CID102959688
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name4-methyl-1-piperidin-3-ylsulfonylpiperidin-3-ol
SMILESCC1CCN(S(=O)(=O)C2CCCNC2)CC1O
InChIInChI=1S/C11H22N2O3S/c1-9-4-6-13(8-11(9)14)17(15,16)10-3-2-5-12-7-10/h9-12,14H,2-8H2,1H3
InChIKeyXJLBDAKIOWLOAW-UHFFFAOYSA-N
XLogP-0.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-piperidin-3-ylsulfonylpiperidin-3-ol?
The IUPAC name of 4-methyl-1-piperidin-3-ylsulfonylpiperidin-3-ol (CID 102959688) is 4-methyl-1-piperidin-3-ylsulfonylpiperidin-3-ol.
What is the SMILES notation for 4-methyl-1-piperidin-3-ylsulfonylpiperidin-3-ol?
The canonical SMILES for 4-methyl-1-piperidin-3-ylsulfonylpiperidin-3-ol is CC1CCN(S(=O)(=O)C2CCCNC2)CC1O.
What is the InChIKey of 4-methyl-1-piperidin-3-ylsulfonylpiperidin-3-ol?
The InChIKey is XJLBDAKIOWLOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-9-4-6-13(8-11(9)14)17(15,16)10-3-2-5-12-7-10/h9-12,14H,2-8H2,1H3.
What are the key properties of 4-methyl-1-piperidin-3-ylsulfonylpiperidin-3-ol?
4-methyl-1-piperidin-3-ylsulfonylpiperidin-3-ol has a molecular weight of 262.37 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-piperidin-3-ylsulfonylpiperidin-3-ol is sourced from PubChem (CID 102959688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).