2-(benzylamino)-2-(3-methylthiophen-2-yl)acetonitrile

C14H14N2S — CID 61346177

IUPAC2-(benzylamino)-2-(3-methylthiophen-2-yl)acetonitrile
SMILESCc1ccsc1C(C#N)NCc1ccccc1
InChIInChI=1S/C14H14N2S/c1-11-7-8-17-14(11)13(9-15)16-10-12-5-3-2-4-6-12/h2-8,13,16H,10H2,1H3
InChIKeyVSHOAWMGRCGHHJ-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.41
Rot. Bonds4

About 2-(benzylamino)-2-(3-methylthiophen-2-yl)acetonitrile

2-(benzylamino)-2-(3-methylthiophen-2-yl)acetonitrile (PubChem CID 61346177) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-(benzylamino)-2-(3-methylthiophen-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(benzylamino)-2-(3-methylthiophen-2-yl)acetonitrile
PubChem CID61346177
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name2-(benzylamino)-2-(3-methylthiophen-2-yl)acetonitrile
SMILESCc1ccsc1C(C#N)NCc1ccccc1
InChIInChI=1S/C14H14N2S/c1-11-7-8-17-14(11)13(9-15)16-10-12-5-3-2-4-6-12/h2-8,13,16H,10H2,1H3
InChIKeyVSHOAWMGRCGHHJ-UHFFFAOYSA-N
XLogP3.41
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(benzylamino)-2-(3-methylthiophen-2-yl)acetonitrile 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

2-(benzylamino)-2-(2-methylphenyl)acetonitrile
CID 10490003
(2S)-2-(benzylamino)-2-phenylacetonitrile
CID 10619409
2-(benzylamino)-2-(4-methylphenyl)acetonitrile
CID 15852212
(2R,3R)-2-(benzylamino)-3-phenylbutanenitrile
CID 10755680
(2R)-2-(benzylamino)propanenitrile
CID 28702462
(2S)-2-(benzylamino)-2-(4-chlorophenyl)acetonitrile
CID 10716423
2-(4-fluoroanilino)-2-(3-methylthiophen-2-yl)acetonitrile
CID 61348317
(2S)-2-(benzylamino)-3-ethylpentanenitrile
CID 100926480
2-(benzylamino)-2-(1,3-dimethylpyrazol-4-yl)acetonitrile
CID 83088857
2-[(4-fluorophenyl)methylamino]-2-(2-methylphenyl)acetonitrile
CID 82019693
2-(3-methylthiophen-2-yl)propanenitrile
CID 63992078
2-(benzylamino)-3,3-dimethylbutanenitrile
CID 10679630

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-(3-methylthiophen-2-yl)acetonitrile?
The IUPAC name of 2-(benzylamino)-2-(3-methylthiophen-2-yl)acetonitrile (CID 61346177) is 2-(benzylamino)-2-(3-methylthiophen-2-yl)acetonitrile.
What is the SMILES notation for 2-(benzylamino)-2-(3-methylthiophen-2-yl)acetonitrile?
The canonical SMILES for 2-(benzylamino)-2-(3-methylthiophen-2-yl)acetonitrile is Cc1ccsc1C(C#N)NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-2-(3-methylthiophen-2-yl)acetonitrile?
The InChIKey is VSHOAWMGRCGHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-11-7-8-17-14(11)13(9-15)16-10-12-5-3-2-4-6-12/h2-8,13,16H,10H2,1H3.
What are the key properties of 2-(benzylamino)-2-(3-methylthiophen-2-yl)acetonitrile?
2-(benzylamino)-2-(3-methylthiophen-2-yl)acetonitrile has a molecular weight of 242.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-(3-methylthiophen-2-yl)acetonitrile is sourced from PubChem (CID 61346177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).