2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethanol

C8H17NO4S — CID 104959533

IUPAC2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethanol
SMILESC[C@@H]1CN(S(=O)(=O)CCO)C[C@H](C)O1
InChIInChI=1S/C8H17NO4S/c1-7-5-9(6-8(2)13-7)14(11,12)4-3-10/h7-8,10H,3-6H2,1-2H3/t7-,8+
InChIKeyLWOZWVAAAZRALO-OCAPTIKFSA-N
MW223.29 g/mol
LogP-0.58
Rot. Bonds3

About 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethanol

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethanol (PubChem CID 104959533) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethanol.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethanol
PubChem CID104959533
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethanol
SMILESC[C@@H]1CN(S(=O)(=O)CCO)C[C@H](C)O1
InChIInChI=1S/C8H17NO4S/c1-7-5-9(6-8(2)13-7)14(11,12)4-3-10/h7-8,10H,3-6H2,1-2H3/t7-,8+
InChIKeyLWOZWVAAAZRALO-OCAPTIKFSA-N
XLogP-0.58
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethanol?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethanol (CID 104959533) is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethanol.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethanol?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethanol is C[C@@H]1CN(S(=O)(=O)CCO)C[C@H](C)O1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethanol?
The InChIKey is LWOZWVAAAZRALO-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-7-5-9(6-8(2)13-7)14(11,12)4-3-10/h7-8,10H,3-6H2,1-2H3/t7-,8+.
What are the key properties of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethanol?
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethanol has a molecular weight of 223.29 g/mol, XLogP of -0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethanol is sourced from PubChem (CID 104959533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).