N-(5-fluoro-2-pyridinyl)-2-thiomorpholin-3-ylacetamide

C11H14FN3OS — CID 66420730

IUPACN-(5-fluoro-2-pyridinyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1ccc(F)cn1
InChIInChI=1S/C11H14FN3OS/c12-8-1-2-10(14-6-8)15-11(16)5-9-7-17-4-3-13-9/h1-2,6,9,13H,3-5,7H2,(H,14,15,16)
InChIKeyRJWZRAPRBHAWQI-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.25
Rot. Bonds3

About N-(5-fluoro-2-pyridinyl)-2-thiomorpholin-3-ylacetamide

N-(5-fluoro-2-pyridinyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66420730) has the molecular formula C11H14FN3OS and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-2-thiomorpholin-3-ylacetamide
PubChem CID66420730
Molecular FormulaC11H14FN3OS
Molecular Weight255.32 g/mol
Exact Mass255.08
IUPAC NameN-(5-fluoro-2-pyridinyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1ccc(F)cn1
InChIInChI=1S/C11H14FN3OS/c12-8-1-2-10(14-6-8)15-11(16)5-9-7-17-4-3-13-9/h1-2,6,9,13H,3-5,7H2,(H,14,15,16)
InChIKeyRJWZRAPRBHAWQI-UHFFFAOYSA-N
XLogP1.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-oxo-1H-pyridazin-3-yl)-2-thiomorpholin-3-ylacetamide
CID 116787040
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941203
N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935785
N-(4-fluoro-2-propoxyphenyl)-2-thiomorpholin-3-ylacetamide
CID 119940311
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938107
2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide
CID 66420511
4,5-difluoro-2-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 66421304
N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420709
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936634
N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 115746725
N-(5-acetyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939508
N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-thiomorpholin-3-ylacetamide
CID 119939533

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-2-thiomorpholin-3-ylacetamide (CID 66420730) is N-(5-fluoro-2-pyridinyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)Nc1ccc(F)cn1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is RJWZRAPRBHAWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3OS/c12-8-1-2-10(14-6-8)15-11(16)5-9-7-17-4-3-13-9/h1-2,6,9,13H,3-5,7H2,(H,14,15,16).
What are the key properties of N-(5-fluoro-2-pyridinyl)-2-thiomorpholin-3-ylacetamide?
N-(5-fluoro-2-pyridinyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 255.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66420730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).