[4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholin-2-yl]methanamine

C11H16FN3O3S — CID 81217503

IUPAC[4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholin-2-yl]methanamine
SMILESCC1COC(CN)CN1S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C11H16FN3O3S/c1-8-7-18-10(3-13)6-15(8)19(16,17)11-2-9(12)4-14-5-11/h2,4-5,8,10H,3,6-7,13H2,1H3
InChIKeySRNXSLIYKIUKJH-UHFFFAOYSA-N
MW289.33 g/mol
LogP-0.04
Rot. Bonds3

About [4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholin-2-yl]methanamine

[4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholin-2-yl]methanamine (PubChem CID 81217503) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is [4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholin-2-yl]methanamine
PubChem CID81217503
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name[4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholin-2-yl]methanamine
SMILESCC1COC(CN)CN1S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C11H16FN3O3S/c1-8-7-18-10(3-13)6-15(8)19(16,17)11-2-9(12)4-14-5-11/h2,4-5,8,10H,3,6-7,13H2,1H3
InChIKeySRNXSLIYKIUKJH-UHFFFAOYSA-N
XLogP-0.04
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholin-2-yl]methanamine?
The IUPAC name of [4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholin-2-yl]methanamine (CID 81217503) is [4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholin-2-yl]methanamine.
What is the SMILES notation for [4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholin-2-yl]methanamine?
The canonical SMILES for [4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholin-2-yl]methanamine is CC1COC(CN)CN1S(=O)(=O)c1cncc(F)c1.
What is the InChIKey of [4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholin-2-yl]methanamine?
The InChIKey is SRNXSLIYKIUKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-8-7-18-10(3-13)6-15(8)19(16,17)11-2-9(12)4-14-5-11/h2,4-5,8,10H,3,6-7,13H2,1H3.
What are the key properties of [4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholin-2-yl]methanamine?
[4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholin-2-yl]methanamine has a molecular weight of 289.33 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-fluoro-3-pyridinyl)sulfonyl]-5-methylmorpholin-2-yl]methanamine is sourced from PubChem (CID 81217503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).