1-[4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholin-2-yl]ethanamine

C11H16FN3O3S — CID 103302658

IUPAC1-[4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(S(=O)(=O)c2ncccc2F)CCO1
InChIInChI=1S/C11H16FN3O3S/c1-8(13)10-7-15(5-6-18-10)19(16,17)11-9(12)3-2-4-14-11/h2-4,8,10H,5-7,13H2,1H3
InChIKeyRDFOEJBWIYSXMK-UHFFFAOYSA-N
MW289.33 g/mol
LogP-0.04
Rot. Bonds3

About 1-[4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholin-2-yl]ethanamine

1-[4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholin-2-yl]ethanamine (PubChem CID 103302658) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-[4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholin-2-yl]ethanamine
PubChem CID103302658
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name1-[4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(S(=O)(=O)c2ncccc2F)CCO1
InChIInChI=1S/C11H16FN3O3S/c1-8(13)10-7-15(5-6-18-10)19(16,17)11-9(12)3-2-4-14-11/h2-4,8,10H,5-7,13H2,1H3
InChIKeyRDFOEJBWIYSXMK-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 1-[4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholin-2-yl]ethanamine?
The IUPAC name of 1-[4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholin-2-yl]ethanamine (CID 103302658) is 1-[4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholin-2-yl]ethanamine?
The canonical SMILES for 1-[4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholin-2-yl]ethanamine is CC(N)C1CN(S(=O)(=O)c2ncccc2F)CCO1.
What is the InChIKey of 1-[4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholin-2-yl]ethanamine?
The InChIKey is RDFOEJBWIYSXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-8(13)10-7-15(5-6-18-10)19(16,17)11-9(12)3-2-4-14-11/h2-4,8,10H,5-7,13H2,1H3.
What are the key properties of 1-[4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholin-2-yl]ethanamine?
1-[4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholin-2-yl]ethanamine 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 1-[4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholin-2-yl]ethanamine is sourced from PubChem (CID 103302658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).