2-methyl-2-naphthalen-1-yl-3-thiophen-2-ylpropanenitrile

C18H15NS — CID 117048835

IUPAC2-methyl-2-naphthalen-1-yl-3-thiophen-2-ylpropanenitrile
SMILESCC(C#N)(Cc1cccs1)c1cccc2ccccc12
InChIInChI=1S/C18H15NS/c1-18(13-19,12-15-8-5-11-20-15)17-10-4-7-14-6-2-3-9-16(14)17/h2-11H,12H2,1H3
InChIKeyOUSFRXQJEYGQDF-UHFFFAOYSA-N
MW277.39 g/mol
LogP4.93
Rot. Bonds3

About 2-methyl-2-naphthalen-1-yl-3-thiophen-2-ylpropanenitrile

2-methyl-2-naphthalen-1-yl-3-thiophen-2-ylpropanenitrile (PubChem CID 117048835) has the molecular formula C18H15NS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-methyl-2-naphthalen-1-yl-3-thiophen-2-ylpropanenitrile.

Molecular Properties

Compound Name2-methyl-2-naphthalen-1-yl-3-thiophen-2-ylpropanenitrile
PubChem CID117048835
Molecular FormulaC18H15NS
Molecular Weight277.39 g/mol
Exact Mass277.09
IUPAC Name2-methyl-2-naphthalen-1-yl-3-thiophen-2-ylpropanenitrile
SMILESCC(C#N)(Cc1cccs1)c1cccc2ccccc12
InChIInChI=1S/C18H15NS/c1-18(13-19,12-15-8-5-11-20-15)17-10-4-7-14-6-2-3-9-16(14)17/h2-11H,12H2,1H3
InChIKeyOUSFRXQJEYGQDF-UHFFFAOYSA-N
XLogP4.93
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanenitrile
CID 117048848
2-amino-2-methyl-3-thiophen-2-ylpropanenitrile
CID 82074760
2-hydroxy-2-naphthalen-1-ylpropanenitrile
CID 102137680
2-methyl-2-(4-methylpiperazin-1-yl)-3-thiophen-2-ylpropanenitrile
CID 82087255
2-methyl-2-piperidin-1-yl-3-thiophen-2-ylpropanenitrile
CID 82083214
2-methyl-1-thiophen-2-ylpropan-2-amine
CID 13096683
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
2-(2-fluorophenyl)-1-thiophen-2-ylpropan-2-amine
CID 62621819
2-(naphthalen-1-ylmethyl)thiophene
CID 23454862
(2S)-2-amino-2-naphthalen-1-ylpropanal
CID 87513009
1-(trichloromethyl)naphthalene
CID 12791328
2-(4-methoxyphenyl)-1-thiophen-2-ylpropan-2-ol
CID 65145347

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-naphthalen-1-yl-3-thiophen-2-ylpropanenitrile?
The IUPAC name of 2-methyl-2-naphthalen-1-yl-3-thiophen-2-ylpropanenitrile (CID 117048835) is 2-methyl-2-naphthalen-1-yl-3-thiophen-2-ylpropanenitrile.
What is the SMILES notation for 2-methyl-2-naphthalen-1-yl-3-thiophen-2-ylpropanenitrile?
The canonical SMILES for 2-methyl-2-naphthalen-1-yl-3-thiophen-2-ylpropanenitrile is CC(C#N)(Cc1cccs1)c1cccc2ccccc12.
What is the InChIKey of 2-methyl-2-naphthalen-1-yl-3-thiophen-2-ylpropanenitrile?
The InChIKey is OUSFRXQJEYGQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NS/c1-18(13-19,12-15-8-5-11-20-15)17-10-4-7-14-6-2-3-9-16(14)17/h2-11H,12H2,1H3.
What are the key properties of 2-methyl-2-naphthalen-1-yl-3-thiophen-2-ylpropanenitrile?
2-methyl-2-naphthalen-1-yl-3-thiophen-2-ylpropanenitrile has a molecular weight of 277.39 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-naphthalen-1-yl-3-thiophen-2-ylpropanenitrile is sourced from PubChem (CID 117048835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).