5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]thiophene-2-carbonitrile

C13H11N3S — CID 56654363

IUPAC5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(-c2ccc([C@H]3C[C@@H]3N)cn2)s1
InChIInChI=1S/C13H11N3S/c14-6-9-2-4-13(17-9)12-3-1-8(7-16-12)10-5-11(10)15/h1-4,7,10-11H,5,15H2/t10-,11+/m1/s1
InChIKeyWXFIDYNVFUVCJP-MNOVXSKESA-N
MW241.32 g/mol
LogP2.50
Rot. Bonds2

About 5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]thiophene-2-carbonitrile

5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]thiophene-2-carbonitrile (PubChem CID 56654363) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]thiophene-2-carbonitrile
PubChem CID56654363
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(-c2ccc([C@H]3C[C@@H]3N)cn2)s1
InChIInChI=1S/C13H11N3S/c14-6-9-2-4-13(17-9)12-3-1-8(7-16-12)10-5-11(10)15/h1-4,7,10-11H,5,15H2/t10-,11+/m1/s1
InChIKeyWXFIDYNVFUVCJP-MNOVXSKESA-N
XLogP2.50
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]thiophene-2-carbonitrile (CID 56654363) is 5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]thiophene-2-carbonitrile is N#Cc1ccc(-c2ccc([C@H]3C[C@@H]3N)cn2)s1.
What is the InChIKey of 5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]thiophene-2-carbonitrile?
The InChIKey is WXFIDYNVFUVCJP-MNOVXSKESA-N. The full InChI is InChI=1S/C13H11N3S/c14-6-9-2-4-13(17-9)12-3-1-8(7-16-12)10-5-11(10)15/h1-4,7,10-11H,5,15H2/t10-,11+/m1/s1.
What are the key properties of 5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]thiophene-2-carbonitrile?
5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]thiophene-2-carbonitrile has a molecular weight of 241.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]thiophene-2-carbonitrile is sourced from PubChem (CID 56654363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).