(3R)-N-(5-fluoro-3-pyridinyl)thiolane-3-carboxamide

C10H11FN2OS — CID 129349225

IUPAC(3R)-N-(5-fluoro-3-pyridinyl)thiolane-3-carboxamide
SMILESO=C(Nc1cncc(F)c1)[C@H]1CCSC1
InChIInChI=1S/C10H11FN2OS/c11-8-3-9(5-12-4-8)13-10(14)7-1-2-15-6-7/h3-5,7H,1-2,6H2,(H,13,14)/t7-/m0/s1
InChIKeyDZZRJDWQOHHFRP-ZETCQYMHSA-N
MW226.28 g/mol
LogP1.91
Rot. Bonds2

About (3R)-N-(5-fluoro-3-pyridinyl)thiolane-3-carboxamide

(3R)-N-(5-fluoro-3-pyridinyl)thiolane-3-carboxamide (PubChem CID 129349225) has the molecular formula C10H11FN2OS and a molecular weight of 226.28 g/mol. Its IUPAC name is (3R)-N-(5-fluoro-3-pyridinyl)thiolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-fluoro-3-pyridinyl)thiolane-3-carboxamide
PubChem CID129349225
Molecular FormulaC10H11FN2OS
Molecular Weight226.28 g/mol
Exact Mass226.06
IUPAC Name(3R)-N-(5-fluoro-3-pyridinyl)thiolane-3-carboxamide
SMILESO=C(Nc1cncc(F)c1)[C@H]1CCSC1
InChIInChI=1S/C10H11FN2OS/c11-8-3-9(5-12-4-8)13-10(14)7-1-2-15-6-7/h3-5,7H,1-2,6H2,(H,13,14)/t7-/m0/s1
InChIKeyDZZRJDWQOHHFRP-ZETCQYMHSA-N
XLogP1.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-fluoro-3-pyridinyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 114254248
N-(4-bromo-3,5-dimethylphenyl)thiolane-3-carboxamide
CID 103582040
5-fluoro-N-(thiolan-3-ylmethyl)pyridin-3-amine
CID 130485396
N-(2-amino-4,6-difluorophenyl)thiolane-3-carboxamide
CID 81313992
(2S,3R)-N-(5-fluoro-3-pyridinyl)-3-methyloxolane-2-carboxamide
CID 126793790
N-[4-chloro-3-(trifluoromethyl)phenyl]thiolane-3-carboxamide
CID 110863729
2-(aminomethyl)-N-(5-fluoro-3-pyridinyl)cyclopentane-1-carboxamide
CID 114254668
(4aR,6S,8aR)-N-(5-fluoro-3-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carboxamide;hydrochloride
CID 171317452
N-(4-bromo-3-chlorophenyl)thiolane-3-carboxamide
CID 103824576
N-(5-fluoro-3-pyridinyl)-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 154768459
ethane;N-(5-methyl-3-pyridinyl)cyclopropanecarboxamide
CID 144888872
(3aS,7aR)-N-(5-fluoro-3-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
CID 128625378

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-fluoro-3-pyridinyl)thiolane-3-carboxamide?
The IUPAC name of (3R)-N-(5-fluoro-3-pyridinyl)thiolane-3-carboxamide (CID 129349225) is (3R)-N-(5-fluoro-3-pyridinyl)thiolane-3-carboxamide.
What is the SMILES notation for (3R)-N-(5-fluoro-3-pyridinyl)thiolane-3-carboxamide?
The canonical SMILES for (3R)-N-(5-fluoro-3-pyridinyl)thiolane-3-carboxamide is O=C(Nc1cncc(F)c1)[C@H]1CCSC1.
What is the InChIKey of (3R)-N-(5-fluoro-3-pyridinyl)thiolane-3-carboxamide?
The InChIKey is DZZRJDWQOHHFRP-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11FN2OS/c11-8-3-9(5-12-4-8)13-10(14)7-1-2-15-6-7/h3-5,7H,1-2,6H2,(H,13,14)/t7-/m0/s1.
What are the key properties of (3R)-N-(5-fluoro-3-pyridinyl)thiolane-3-carboxamide?
(3R)-N-(5-fluoro-3-pyridinyl)thiolane-3-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-fluoro-3-pyridinyl)thiolane-3-carboxamide is sourced from PubChem (CID 129349225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).