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

C10H21NO3S — CID 104969044

IUPAC2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpropan-1-ol
SMILESCC(CO)S(=O)(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C10H21NO3S/c1-8-5-4-6-9(2)11(8)15(13,14)10(3)7-12/h8-10,12H,4-7H2,1-3H3/t8-,9+,10?
InChIKeyUVTSOKGXWIPCLZ-ULKQDVFKSA-N
MW235.35 g/mol
LogP0.96
Rot. Bonds3

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

2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpropan-1-ol (PubChem CID 104969044) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpropan-1-ol.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpropan-1-ol
PubChem CID104969044
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpropan-1-ol
SMILESCC(CO)S(=O)(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C10H21NO3S/c1-8-5-4-6-9(2)11(8)15(13,14)10(3)7-12/h8-10,12H,4-7H2,1-3H3/t8-,9+,10?
InChIKeyUVTSOKGXWIPCLZ-ULKQDVFKSA-N
XLogP0.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.96
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]sulfonylpropan-1-ol?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpropan-1-ol (CID 104969044) is 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpropan-1-ol.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpropan-1-ol?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpropan-1-ol is CC(CO)S(=O)(=O)N1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpropan-1-ol?
The InChIKey is UVTSOKGXWIPCLZ-ULKQDVFKSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-8-5-4-6-9(2)11(8)15(13,14)10(3)7-12/h8-10,12H,4-7H2,1-3H3/t8-,9+,10?.
What are the key properties of 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpropan-1-ol?
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpropan-1-ol has a molecular weight of 235.35 g/mol, XLogP of 0.96, 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]sulfonylpropan-1-ol is sourced from PubChem (CID 104969044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).