[4-[(3-fluoro-2-pyridinyl)sulfonyl]-6,6-dimethylmorpholin-2-yl]methanol

C12H17FN2O4S — CID 103300531

IUPAC[4-[(3-fluoro-2-pyridinyl)sulfonyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(S(=O)(=O)c2ncccc2F)CC(CO)O1
InChIInChI=1S/C12H17FN2O4S/c1-12(2)8-15(6-9(7-16)19-12)20(17,18)11-10(13)4-3-5-14-11/h3-5,9,16H,6-8H2,1-2H3
InChIKeyIDEDCRWXPPIBRN-UHFFFAOYSA-N
MW304.34 g/mol
LogP0.38
Rot. Bonds3

About [4-[(3-fluoro-2-pyridinyl)sulfonyl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[(3-fluoro-2-pyridinyl)sulfonyl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 103300531) has the molecular formula C12H17FN2O4S and a molecular weight of 304.34 g/mol. Its IUPAC name is [4-[(3-fluoro-2-pyridinyl)sulfonyl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(3-fluoro-2-pyridinyl)sulfonyl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID103300531
Molecular FormulaC12H17FN2O4S
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC Name[4-[(3-fluoro-2-pyridinyl)sulfonyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(S(=O)(=O)c2ncccc2F)CC(CO)O1
InChIInChI=1S/C12H17FN2O4S/c1-12(2)8-15(6-9(7-16)19-12)20(17,18)11-10(13)4-3-5-14-11/h3-5,9,16H,6-8H2,1-2H3
InChIKeyIDEDCRWXPPIBRN-UHFFFAOYSA-N
XLogP0.38
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluoro-2-pyridinyl)sulfonyl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[(3-fluoro-2-pyridinyl)sulfonyl]-6,6-dimethylmorpholin-2-yl]methanol (CID 103300531) is [4-[(3-fluoro-2-pyridinyl)sulfonyl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[(3-fluoro-2-pyridinyl)sulfonyl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[(3-fluoro-2-pyridinyl)sulfonyl]-6,6-dimethylmorpholin-2-yl]methanol is CC1(C)CN(S(=O)(=O)c2ncccc2F)CC(CO)O1.
What is the InChIKey of [4-[(3-fluoro-2-pyridinyl)sulfonyl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is IDEDCRWXPPIBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S/c1-12(2)8-15(6-9(7-16)19-12)20(17,18)11-10(13)4-3-5-14-11/h3-5,9,16H,6-8H2,1-2H3.
What are the key properties of [4-[(3-fluoro-2-pyridinyl)sulfonyl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[(3-fluoro-2-pyridinyl)sulfonyl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 304.34 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluoro-2-pyridinyl)sulfonyl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 103300531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).