5-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]thiophene-2-carbonitrile

C15H14N2OS — CID 115675503

IUPAC5-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(CNCC2Cc3ccccc3O2)s1
InChIInChI=1S/C15H14N2OS/c16-8-13-5-6-14(19-13)10-17-9-12-7-11-3-1-2-4-15(11)18-12/h1-6,12,17H,7,9-10H2
InChIKeyQTUQBWLGIGASSH-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.71
Rot. Bonds4

About 5-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]thiophene-2-carbonitrile

5-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]thiophene-2-carbonitrile (PubChem CID 115675503) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 5-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]thiophene-2-carbonitrile
PubChem CID115675503
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name5-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(CNCC2Cc3ccccc3O2)s1
InChIInChI=1S/C15H14N2OS/c16-8-13-5-6-14(19-13)10-17-9-12-7-11-3-1-2-4-15(11)18-12/h1-6,12,17H,7,9-10H2
InChIKeyQTUQBWLGIGASSH-UHFFFAOYSA-N
XLogP2.71
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 54895688
N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
CID 114505487
1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 62998098
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905615
5-[(1,4-dioxan-2-ylmethylamino)methyl]thiophene-2-carbonitrile
CID 115675625
1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
CID 62338719
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 63050382
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 66365130
1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
CID 60752409
4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 51078312

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]thiophene-2-carbonitrile (CID 115675503) is 5-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]thiophene-2-carbonitrile is N#Cc1ccc(CNCC2Cc3ccccc3O2)s1.
What is the InChIKey of 5-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]thiophene-2-carbonitrile?
The InChIKey is QTUQBWLGIGASSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c16-8-13-5-6-14(19-13)10-17-9-12-7-11-3-1-2-4-15(11)18-12/h1-6,12,17H,7,9-10H2.
What are the key properties of 5-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]thiophene-2-carbonitrile?
5-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]thiophene-2-carbonitrile has a molecular weight of 270.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 115675503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).