5-[3-[1-(methylamino)propyl]phenyl]thiophene-2-carbonitrile

C15H16N2S — CID 55030874

IUPAC5-[3-[1-(methylamino)propyl]phenyl]thiophene-2-carbonitrile
SMILESCCC(NC)c1cccc(-c2ccc(C#N)s2)c1
InChIInChI=1S/C15H16N2S/c1-3-14(17-2)11-5-4-6-12(9-11)15-8-7-13(10-16)18-15/h4-9,14,17H,3H2,1-2H3
InChIKeyXEORDRYXMFBODB-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.96
Rot. Bonds4

About 5-[3-[1-(methylamino)propyl]phenyl]thiophene-2-carbonitrile

5-[3-[1-(methylamino)propyl]phenyl]thiophene-2-carbonitrile (PubChem CID 55030874) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 5-[3-[1-(methylamino)propyl]phenyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[3-[1-(methylamino)propyl]phenyl]thiophene-2-carbonitrile
PubChem CID55030874
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name5-[3-[1-(methylamino)propyl]phenyl]thiophene-2-carbonitrile
SMILESCCC(NC)c1cccc(-c2ccc(C#N)s2)c1
InChIInChI=1S/C15H16N2S/c1-3-14(17-2)11-5-4-6-12(9-11)15-8-7-13(10-16)18-15/h4-9,14,17H,3H2,1-2H3
InChIKeyXEORDRYXMFBODB-UHFFFAOYSA-N
XLogP3.96
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[1-(methylamino)propyl]phenyl]benzonitrile
CID 54911796
5-[4-[1-(ethylamino)propyl]phenyl]thiophene-2-carbonitrile
CID 55030255
N-methyl-1-(3-phenylphenyl)propan-1-amine
CID 54912079
5-(3-methoxyphenyl)thiophene-2-carbonitrile
CID 82078599
1-[3-(3,4-dimethylphenyl)phenyl]-N-methylpropan-1-amine
CID 63424535
N-methyl-1-(3-pyridin-3-ylphenyl)propan-1-amine
CID 54911968
N-methyl-1-[3-(2,4,5-trimethylphenyl)phenyl]propan-1-amine
CID 64984941
N-methyl-1-[3-(2-methylthiophen-3-yl)phenyl]propan-1-amine
CID 102834501
N-[[3-(5-cyanothiophen-2-yl)phenyl]methyl]methanesulfonamide
CID 56794323
N-methyl-3-[1-(methylamino)propyl]aniline
CID 116951935
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
1-[3-(2,4-difluorophenyl)phenyl]-N-methylpropan-1-amine
CID 61033126

Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-(methylamino)propyl]phenyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[3-[1-(methylamino)propyl]phenyl]thiophene-2-carbonitrile (CID 55030874) is 5-[3-[1-(methylamino)propyl]phenyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[3-[1-(methylamino)propyl]phenyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[3-[1-(methylamino)propyl]phenyl]thiophene-2-carbonitrile is CCC(NC)c1cccc(-c2ccc(C#N)s2)c1.
What is the InChIKey of 5-[3-[1-(methylamino)propyl]phenyl]thiophene-2-carbonitrile?
The InChIKey is XEORDRYXMFBODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-3-14(17-2)11-5-4-6-12(9-11)15-8-7-13(10-16)18-15/h4-9,14,17H,3H2,1-2H3.
What are the key properties of 5-[3-[1-(methylamino)propyl]phenyl]thiophene-2-carbonitrile?
5-[3-[1-(methylamino)propyl]phenyl]thiophene-2-carbonitrile has a molecular weight of 256.37 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-(methylamino)propyl]phenyl]thiophene-2-carbonitrile is sourced from PubChem (CID 55030874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).