5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]thiophene-3-carbonitrile

C15H16N2OS — CID 81376652

IUPAC5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]thiophene-3-carbonitrile
SMILESCOc1cccc([C@@H](C)NCc2cc(C#N)cs2)c1
InChIInChI=1S/C15H16N2OS/c1-11(13-4-3-5-14(7-13)18-2)17-9-15-6-12(8-16)10-19-15/h3-7,10-11,17H,9H2,1-2H3/t11-/m1/s1
InChIKeyILIRKLUFZAWQMM-LLVKDONJSA-N
MW272.37 g/mol
LogP3.48
Rot. Bonds5

About 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]thiophene-3-carbonitrile

5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]thiophene-3-carbonitrile (PubChem CID 81376652) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]thiophene-3-carbonitrile
PubChem CID81376652
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]thiophene-3-carbonitrile
SMILESCOc1cccc([C@@H](C)NCc2cc(C#N)cs2)c1
InChIInChI=1S/C15H16N2OS/c1-11(13-4-3-5-14(7-13)18-2)17-9-15-6-12(8-16)10-19-15/h3-7,10-11,17H,9H2,1-2H3/t11-/m1/s1
InChIKeyILIRKLUFZAWQMM-LLVKDONJSA-N
XLogP3.48
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]thiophene-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[1-(3-nitrophenyl)ethylamino]methyl]thiophene-3-carbonitrile
CID 79553149
5-[[1-(2-methoxyphenyl)ethylamino]methyl]thiophene-3-carbonitrile
CID 79545419
1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43204723
(1R)-1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 28668693
5-[[2-(3-methoxyphenyl)ethylamino]methyl]thiophene-3-carbonitrile
CID 103724162
5-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]thiophene-3-carbonitrile
CID 79538677
4-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butanenitrile
CID 81373125
5-[[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]methyl]thiophene-3-carbonitrile
CID 79539168
5-[[(3-methyl-1-phenylbutyl)amino]methyl]thiophene-3-carbonitrile
CID 79544750
5-[(1-phenylpropylamino)methyl]thiophene-3-carbonitrile
CID 79553082
5-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]thiophene-3-carbonitrile
CID 81380013
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 102834326

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]thiophene-3-carbonitrile (CID 81376652) is 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]thiophene-3-carbonitrile is COc1cccc([C@@H](C)NCc2cc(C#N)cs2)c1.
What is the InChIKey of 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]thiophene-3-carbonitrile?
The InChIKey is ILIRKLUFZAWQMM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-11(13-4-3-5-14(7-13)18-2)17-9-15-6-12(8-16)10-19-15/h3-7,10-11,17H,9H2,1-2H3/t11-/m1/s1.
What are the key properties of 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]thiophene-3-carbonitrile?
5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]thiophene-3-carbonitrile has a molecular weight of 272.37 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 81376652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).