6-fluoro-N-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyridin-2-amine

C14H21FN4O3S — CID 133308336

IUPAC6-fluoro-N-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyridin-2-amine
SMILESO=S(=O)(N1CCOCC1)N1CCC(Nc2cccc(F)n2)CC1
InChIInChI=1S/C14H21FN4O3S/c15-13-2-1-3-14(17-13)16-12-4-6-18(7-5-12)23(20,21)19-8-10-22-11-9-19/h1-3,12H,4-11H2,(H,16,17)
InChIKeyCLGHOBIQLNCEMO-UHFFFAOYSA-N
MW344.41 g/mol
LogP0.67
Rot. Bonds4

About 6-fluoro-N-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyridin-2-amine

6-fluoro-N-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyridin-2-amine (PubChem CID 133308336) has the molecular formula C14H21FN4O3S and a molecular weight of 344.41 g/mol. Its IUPAC name is 6-fluoro-N-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyridin-2-amine
PubChem CID133308336
Molecular FormulaC14H21FN4O3S
Molecular Weight344.41 g/mol
Exact Mass344.13
IUPAC Name6-fluoro-N-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyridin-2-amine
SMILESO=S(=O)(N1CCOCC1)N1CCC(Nc2cccc(F)n2)CC1
InChIInChI=1S/C14H21FN4O3S/c15-13-2-1-3-14(17-13)16-12-4-6-18(7-5-12)23(20,21)19-8-10-22-11-9-19/h1-3,12H,4-11H2,(H,16,17)
InChIKeyCLGHOBIQLNCEMO-UHFFFAOYSA-N
XLogP0.67
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyridin-2-amine?
The IUPAC name of 6-fluoro-N-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyridin-2-amine (CID 133308336) is 6-fluoro-N-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyridin-2-amine is O=S(=O)(N1CCOCC1)N1CCC(Nc2cccc(F)n2)CC1.
What is the InChIKey of 6-fluoro-N-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyridin-2-amine?
The InChIKey is CLGHOBIQLNCEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O3S/c15-13-2-1-3-14(17-13)16-12-4-6-18(7-5-12)23(20,21)19-8-10-22-11-9-19/h1-3,12H,4-11H2,(H,16,17).
What are the key properties of 6-fluoro-N-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyridin-2-amine?
6-fluoro-N-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyridin-2-amine has a molecular weight of 344.41 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1-morpholin-4-ylsulfonylpiperidin-4-yl)pyridin-2-amine is sourced from PubChem (CID 133308336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).