4-[(3-fluoro-2-pyridinyl)sulfonyl]-2,2,6,6-tetramethylmorpholine

C13H19FN2O3S — CID 103300546

IUPAC4-[(3-fluoro-2-pyridinyl)sulfonyl]-2,2,6,6-tetramethylmorpholine
SMILESCC1(C)CN(S(=O)(=O)c2ncccc2F)CC(C)(C)O1
InChIInChI=1S/C13H19FN2O3S/c1-12(2)8-16(9-13(3,4)19-12)20(17,18)11-10(14)6-5-7-15-11/h5-7H,8-9H2,1-4H3
InChIKeyKSCXHLOSSWIROL-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.80
Rot. Bonds2

About 4-[(3-fluoro-2-pyridinyl)sulfonyl]-2,2,6,6-tetramethylmorpholine

4-[(3-fluoro-2-pyridinyl)sulfonyl]-2,2,6,6-tetramethylmorpholine (PubChem CID 103300546) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-[(3-fluoro-2-pyridinyl)sulfonyl]-2,2,6,6-tetramethylmorpholine.

Molecular Properties

Compound Name4-[(3-fluoro-2-pyridinyl)sulfonyl]-2,2,6,6-tetramethylmorpholine
PubChem CID103300546
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name4-[(3-fluoro-2-pyridinyl)sulfonyl]-2,2,6,6-tetramethylmorpholine
SMILESCC1(C)CN(S(=O)(=O)c2ncccc2F)CC(C)(C)O1
InChIInChI=1S/C13H19FN2O3S/c1-12(2)8-16(9-13(3,4)19-12)20(17,18)11-10(14)6-5-7-15-11/h5-7H,8-9H2,1-4H3
InChIKeyKSCXHLOSSWIROL-UHFFFAOYSA-N
XLogP1.80
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane
CID 103299166
3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine
CID 103299830
1-[4-[(3-fluoro-2-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]ethanone
CID 103299923
2-(3-tert-butylpyrrolidin-1-yl)sulfonyl-3-fluoropyridine
CID 103300413
[4-[(3-fluoro-2-pyridinyl)sulfonyl]-6-methylmorpholin-2-yl]methanol
CID 103300552
3-(2-fluorophenyl)-1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]azetidin-3-ol
CID 167810627
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine
CID 103302531
1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 103299442
1-[4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholin-2-yl]ethanamine
CID 103302658
1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-methylsulfanylpiperidine-4-carbothioamide
CID 103300684
1-ethyl-4-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methylpiperazine
CID 103300086
1-[(3-fluoro-2-pyridinyl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 103299708

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-2-pyridinyl)sulfonyl]-2,2,6,6-tetramethylmorpholine?
The IUPAC name of 4-[(3-fluoro-2-pyridinyl)sulfonyl]-2,2,6,6-tetramethylmorpholine (CID 103300546) is 4-[(3-fluoro-2-pyridinyl)sulfonyl]-2,2,6,6-tetramethylmorpholine.
What is the SMILES notation for 4-[(3-fluoro-2-pyridinyl)sulfonyl]-2,2,6,6-tetramethylmorpholine?
The canonical SMILES for 4-[(3-fluoro-2-pyridinyl)sulfonyl]-2,2,6,6-tetramethylmorpholine is CC1(C)CN(S(=O)(=O)c2ncccc2F)CC(C)(C)O1.
What is the InChIKey of 4-[(3-fluoro-2-pyridinyl)sulfonyl]-2,2,6,6-tetramethylmorpholine?
The InChIKey is KSCXHLOSSWIROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-12(2)8-16(9-13(3,4)19-12)20(17,18)11-10(14)6-5-7-15-11/h5-7H,8-9H2,1-4H3.
What are the key properties of 4-[(3-fluoro-2-pyridinyl)sulfonyl]-2,2,6,6-tetramethylmorpholine?
4-[(3-fluoro-2-pyridinyl)sulfonyl]-2,2,6,6-tetramethylmorpholine has a molecular weight of 302.37 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-2-pyridinyl)sulfonyl]-2,2,6,6-tetramethylmorpholine is sourced from PubChem (CID 103300546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).