5-[[[(1S,3R)-3-fluorocyclopentyl]amino]methyl]thiophene-2-carbonitrile

C11H13FN2S — CID 129322683

IUPAC5-[[[(1S,3R)-3-fluorocyclopentyl]amino]methyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(CN[C@H]2CC[C@@H](F)C2)s1
InChIInChI=1S/C11H13FN2S/c12-8-1-2-9(5-8)14-7-11-4-3-10(6-13)15-11/h3-4,8-9,14H,1-2,5,7H2/t8-,9+/m1/s1
InChIKeyRWVYXJUVEFRUKP-BDAKNGLRSA-N
MW224.30 g/mol
LogP2.60
Rot. Bonds3

About 5-[[[(1S,3R)-3-fluorocyclopentyl]amino]methyl]thiophene-2-carbonitrile

5-[[[(1S,3R)-3-fluorocyclopentyl]amino]methyl]thiophene-2-carbonitrile (PubChem CID 129322683) has the molecular formula C11H13FN2S and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-[[[(1S,3R)-3-fluorocyclopentyl]amino]methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[[[(1S,3R)-3-fluorocyclopentyl]amino]methyl]thiophene-2-carbonitrile
PubChem CID129322683
Molecular FormulaC11H13FN2S
Molecular Weight224.30 g/mol
Exact Mass224.08
IUPAC Name5-[[[(1S,3R)-3-fluorocyclopentyl]amino]methyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(CN[C@H]2CC[C@@H](F)C2)s1
InChIInChI=1S/C11H13FN2S/c12-8-1-2-9(5-8)14-7-11-4-3-10(6-13)15-11/h3-4,8-9,14H,1-2,5,7H2/t8-,9+/m1/s1
InChIKeyRWVYXJUVEFRUKP-BDAKNGLRSA-N
XLogP2.60
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(3,5-dimethylcyclohexyl)amino]methyl]thiophene-2-carbonitrile
CID 115675922
5-[[(2,4-dimethylcyclohexyl)amino]methyl]thiophene-2-carbonitrile
CID 115675868
5-[[(6-oxopiperidin-3-yl)amino]methyl]thiophene-2-carbonitrile
CID 115675832
5-[(2,2-dicyclopropylethylamino)methyl]thiophene-2-carbonitrile
CID 115675957
5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile
CID 115675878
5-[[(3-methylcyclopentyl)methylamino]methyl]thiophene-2-carbonitrile
CID 107411515
5-[[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]methyl]thiophene-2-carbonitrile
CID 103778273
5-[[(2,2-dimethylcyclopentyl)amino]methyl]thiophene-2-carbonitrile
CID 115680373
2-[4-[(5-cyanothiophen-2-yl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 115675555
1-[(5-cyanothiophen-2-yl)methyl]-3-cyclopropyl-2-methylguanidine
CID 122101713
5-[[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]thiophene-2-carbonitrile
CID 119145559
5-[[(2-cyclopropyl-1-hydroxypropan-2-yl)amino]methyl]thiophene-2-carbonitrile
CID 115685158

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1S,3R)-3-fluorocyclopentyl]amino]methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[[[(1S,3R)-3-fluorocyclopentyl]amino]methyl]thiophene-2-carbonitrile (CID 129322683) is 5-[[[(1S,3R)-3-fluorocyclopentyl]amino]methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[[[(1S,3R)-3-fluorocyclopentyl]amino]methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[[[(1S,3R)-3-fluorocyclopentyl]amino]methyl]thiophene-2-carbonitrile is N#Cc1ccc(CN[C@H]2CC[C@@H](F)C2)s1.
What is the InChIKey of 5-[[[(1S,3R)-3-fluorocyclopentyl]amino]methyl]thiophene-2-carbonitrile?
The InChIKey is RWVYXJUVEFRUKP-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H13FN2S/c12-8-1-2-9(5-8)14-7-11-4-3-10(6-13)15-11/h3-4,8-9,14H,1-2,5,7H2/t8-,9+/m1/s1.
What are the key properties of 5-[[[(1S,3R)-3-fluorocyclopentyl]amino]methyl]thiophene-2-carbonitrile?
5-[[[(1S,3R)-3-fluorocyclopentyl]amino]methyl]thiophene-2-carbonitrile has a molecular weight of 224.30 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1S,3R)-3-fluorocyclopentyl]amino]methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 129322683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).