2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylethanol

C9H19NO3S — CID 104967953

IUPAC2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylethanol
SMILESC[C@@H]1CCC[C@H](C)N1S(=O)(=O)CCO
InChIInChI=1S/C9H19NO3S/c1-8-4-3-5-9(2)10(8)14(12,13)7-6-11/h8-9,11H,3-7H2,1-2H3/t8-,9+
InChIKeyAFNFLMPPIVYLRI-DTORHVGOSA-N
MW221.32 g/mol
LogP0.57
Rot. Bonds3

About 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylethanol

2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylethanol (PubChem CID 104967953) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylethanol.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylethanol
PubChem CID104967953
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylethanol
SMILESC[C@@H]1CCC[C@H](C)N1S(=O)(=O)CCO
InChIInChI=1S/C9H19NO3S/c1-8-4-3-5-9(2)10(8)14(12,13)7-6-11/h8-9,11H,3-7H2,1-2H3/t8-,9+
InChIKeyAFNFLMPPIVYLRI-DTORHVGOSA-N
XLogP0.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylethanol?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylethanol (CID 104967953) is 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylethanol.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylethanol?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylethanol is C[C@@H]1CCC[C@H](C)N1S(=O)(=O)CCO.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylethanol?
The InChIKey is AFNFLMPPIVYLRI-DTORHVGOSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-8-4-3-5-9(2)10(8)14(12,13)7-6-11/h8-9,11H,3-7H2,1-2H3/t8-,9+.
What are the key properties of 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylethanol?
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylethanol has a molecular weight of 221.32 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylethanol is sourced from PubChem (CID 104967953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).