N-[(3-fluoro-2-pyridinyl)methyl]-2-thiomorpholin-4-ylpropanamide

C13H18FN3OS — CID 75387608

IUPACN-[(3-fluoro-2-pyridinyl)methyl]-2-thiomorpholin-4-ylpropanamide
SMILESCC(C(=O)NCc1ncccc1F)N1CCSCC1
InChIInChI=1S/C13H18FN3OS/c1-10(17-5-7-19-8-6-17)13(18)16-9-12-11(14)3-2-4-15-12/h2-4,10H,5-9H2,1H3,(H,16,18)
InChIKeyWRJPJZSRLTXAPE-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.27
Rot. Bonds4

About N-[(3-fluoro-2-pyridinyl)methyl]-2-thiomorpholin-4-ylpropanamide

N-[(3-fluoro-2-pyridinyl)methyl]-2-thiomorpholin-4-ylpropanamide (PubChem CID 75387608) has the molecular formula C13H18FN3OS and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyridinyl)methyl]-2-thiomorpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(3-fluoro-2-pyridinyl)methyl]-2-thiomorpholin-4-ylpropanamide
PubChem CID75387608
Molecular FormulaC13H18FN3OS
Molecular Weight283.37 g/mol
Exact Mass283.12
IUPAC NameN-[(3-fluoro-2-pyridinyl)methyl]-2-thiomorpholin-4-ylpropanamide
SMILESCC(C(=O)NCc1ncccc1F)N1CCSCC1
InChIInChI=1S/C13H18FN3OS/c1-10(17-5-7-19-8-6-17)13(18)16-9-12-11(14)3-2-4-15-12/h2-4,10H,5-9H2,1H3,(H,16,18)
InChIKeyWRJPJZSRLTXAPE-UHFFFAOYSA-N
XLogP1.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-pyridinyl)methyl]-2-thiomorpholin-4-ylpropanamide?
The IUPAC name of N-[(3-fluoro-2-pyridinyl)methyl]-2-thiomorpholin-4-ylpropanamide (CID 75387608) is N-[(3-fluoro-2-pyridinyl)methyl]-2-thiomorpholin-4-ylpropanamide.
What is the SMILES notation for N-[(3-fluoro-2-pyridinyl)methyl]-2-thiomorpholin-4-ylpropanamide?
The canonical SMILES for N-[(3-fluoro-2-pyridinyl)methyl]-2-thiomorpholin-4-ylpropanamide is CC(C(=O)NCc1ncccc1F)N1CCSCC1.
What is the InChIKey of N-[(3-fluoro-2-pyridinyl)methyl]-2-thiomorpholin-4-ylpropanamide?
The InChIKey is WRJPJZSRLTXAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3OS/c1-10(17-5-7-19-8-6-17)13(18)16-9-12-11(14)3-2-4-15-12/h2-4,10H,5-9H2,1H3,(H,16,18).
What are the key properties of N-[(3-fluoro-2-pyridinyl)methyl]-2-thiomorpholin-4-ylpropanamide?
N-[(3-fluoro-2-pyridinyl)methyl]-2-thiomorpholin-4-ylpropanamide has a molecular weight of 283.37 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-pyridinyl)methyl]-2-thiomorpholin-4-ylpropanamide is sourced from PubChem (CID 75387608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).