5-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]thiophene-2-carbonitrile

C14H13FN2S — CID 113481612

IUPAC5-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]thiophene-2-carbonitrile
SMILESC[C@@H](NCc1ccc(C#N)s1)c1ccccc1F
InChIInChI=1S/C14H13FN2S/c1-10(13-4-2-3-5-14(13)15)17-9-12-7-6-11(8-16)18-12/h2-7,10,17H,9H2,1H3/t10-/m1/s1
InChIKeyONHINYLAEKCJGF-SNVBAGLBSA-N
MW260.34 g/mol
LogP3.61
Rot. Bonds4

About 5-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]thiophene-2-carbonitrile

5-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]thiophene-2-carbonitrile (PubChem CID 113481612) has the molecular formula C14H13FN2S and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]thiophene-2-carbonitrile
PubChem CID113481612
Molecular FormulaC14H13FN2S
Molecular Weight260.34 g/mol
Exact Mass260.08
IUPAC Name5-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]thiophene-2-carbonitrile
SMILESC[C@@H](NCc1ccc(C#N)s1)c1ccccc1F
InChIInChI=1S/C14H13FN2S/c1-10(13-4-2-3-5-14(13)15)17-9-12-7-6-11(8-16)18-12/h2-7,10,17H,9H2,1H3/t10-/m1/s1
InChIKeyONHINYLAEKCJGF-SNVBAGLBSA-N
XLogP3.61
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]thiophene-2-carbonitrile
CID 104865144
5-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]thiophene-2-carbonitrile
CID 115675608
5-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]thiophene-3-carbonitrile
CID 81380013
5-[(1-cyanopropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 104586907
5-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]thiophene-2-carbonitrile
CID 115675506
5-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]thiophene-2-carbonitrile
CID 113250098
5-[(3,3-dimethylbutan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675860
2-fluoro-3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile
CID 103912410
3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile
CID 42914218
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659047
5-[(heptan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675332
3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanenitrile
CID 28728329

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]thiophene-2-carbonitrile (CID 113481612) is 5-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]thiophene-2-carbonitrile is C[C@@H](NCc1ccc(C#N)s1)c1ccccc1F.
What is the InChIKey of 5-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]thiophene-2-carbonitrile?
The InChIKey is ONHINYLAEKCJGF-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13FN2S/c1-10(13-4-2-3-5-14(13)15)17-9-12-7-6-11(8-16)18-12/h2-7,10,17H,9H2,1H3/t10-/m1/s1.
What are the key properties of 5-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]thiophene-2-carbonitrile?
5-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]thiophene-2-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 113481612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).