N-(2-fluorophenyl)thiane-2-carboxamide

C12H14FNOS — CID 110858566

IUPACN-(2-fluorophenyl)thiane-2-carboxamide
SMILESO=C(Nc1ccccc1F)C1CCCCS1
InChIInChI=1S/C12H14FNOS/c13-9-5-1-2-6-10(9)14-12(15)11-7-3-4-8-16-11/h1-2,5-6,11H,3-4,7-8H2,(H,14,15)
InChIKeyDKCVKKONXRUAPS-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.05
Rot. Bonds2

About N-(2-fluorophenyl)thiane-2-carboxamide

N-(2-fluorophenyl)thiane-2-carboxamide (PubChem CID 110858566) has the molecular formula C12H14FNOS and a molecular weight of 239.31 g/mol. Its IUPAC name is N-(2-fluorophenyl)thiane-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)thiane-2-carboxamide
PubChem CID110858566
Molecular FormulaC12H14FNOS
Molecular Weight239.31 g/mol
Exact Mass239.08
IUPAC NameN-(2-fluorophenyl)thiane-2-carboxamide
SMILESO=C(Nc1ccccc1F)C1CCCCS1
InChIInChI=1S/C12H14FNOS/c13-9-5-1-2-6-10(9)14-12(15)11-7-3-4-8-16-11/h1-2,5-6,11H,3-4,7-8H2,(H,14,15)
InChIKeyDKCVKKONXRUAPS-UHFFFAOYSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3,4-trifluorophenyl)thiolane-2-carboxamide
CID 110865134
N-[3-fluoro-2-(N'-hydroxycarbamimidoyl)phenyl]thiolane-2-carboxamide
CID 77021578
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]thiane-2-carboxamide
CID 80594944
N-(3-hydroxy-2-methylphenyl)thiolane-2-carboxamide
CID 64795110
3-(thiolane-2-carbonylamino)pyridine-2-carboxylic acid
CID 104740447
N-(2-fluorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119262310
1-(2-fluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 60612560
N-(2-fluorophenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146012
N-(2-amino-4,5-dimethylphenyl)thiane-2-carboxamide
CID 80594405
4-N-(2-chlorophenyl)-1-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150860
4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 60847748
N-(2-fluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide
CID 80585441

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)thiane-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)thiane-2-carboxamide (CID 110858566) is N-(2-fluorophenyl)thiane-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)thiane-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)thiane-2-carboxamide is O=C(Nc1ccccc1F)C1CCCCS1.
What is the InChIKey of N-(2-fluorophenyl)thiane-2-carboxamide?
The InChIKey is DKCVKKONXRUAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNOS/c13-9-5-1-2-6-10(9)14-12(15)11-7-3-4-8-16-11/h1-2,5-6,11H,3-4,7-8H2,(H,14,15).
What are the key properties of N-(2-fluorophenyl)thiane-2-carboxamide?
N-(2-fluorophenyl)thiane-2-carboxamide has a molecular weight of 239.31 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)thiane-2-carboxamide is sourced from PubChem (CID 110858566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).