2-amino-5,5-dimethyl-6,7-dihydro-4H-1-benzothiophene-3-carbonitrile

C11H14N2S — CID 130239743

IUPAC2-amino-5,5-dimethyl-6,7-dihydro-4H-1-benzothiophene-3-carbonitrile
SMILESCC1(C)CCc2sc(N)c(C#N)c2C1
InChIInChI=1S/C11H14N2S/c1-11(2)4-3-9-7(5-11)8(6-12)10(13)14-9/h3-5,13H2,1-2H3
InChIKeyXJJOMZWFQXDFEH-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.72
Rot. Bonds

About 2-amino-5,5-dimethyl-6,7-dihydro-4H-1-benzothiophene-3-carbonitrile

2-amino-5,5-dimethyl-6,7-dihydro-4H-1-benzothiophene-3-carbonitrile (PubChem CID 130239743) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-amino-5,5-dimethyl-6,7-dihydro-4H-1-benzothiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5,5-dimethyl-6,7-dihydro-4H-1-benzothiophene-3-carbonitrile
PubChem CID130239743
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name2-amino-5,5-dimethyl-6,7-dihydro-4H-1-benzothiophene-3-carbonitrile
SMILESCC1(C)CCc2sc(N)c(C#N)c2C1
InChIInChI=1S/C11H14N2S/c1-11(2)4-3-9-7(5-11)8(6-12)10(13)14-9/h3-5,13H2,1-2H3
InChIKeyXJJOMZWFQXDFEH-UHFFFAOYSA-N
XLogP2.72
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-5,5-dimethyl-6,7-dihydro-4H-1-benzothiophene-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

2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
CID 601417
2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
CID 605976
2-amino-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine-3-carbonitrile
CID 153377652
(3,5,5-trimethyl-6,7-dihydro-4H-1-benzothiophen-2-yl)methanamine
CID 130398705
2-amino-6-tert-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 913228
2-amino-5,5-dimethyl-4H-benzo[e][1]benzothiole-1-carbonitrile
CID 29016369
6-acetyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 42281672
(2-amino-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-6-yl)methyl acetate
CID 58152454
1-amino-7,7-dimethyl-6,8-dihydro-5H-isoquinoline-4-carbonitrile
CID 58502524
2-amino-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 2887397
2-amino-4-methyl-4-propan-2-yl-6,8-dihydro-5H-thieno[2,3-c]oxepine-3-carbonitrile
CID 176926389
2-(2-aminopyrimidin-5-yl)-5,5-dimethyl-6,7-dihydro-4H-1-benzothiophene-3-carboxylic acid
CID 145031550

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5-dimethyl-6,7-dihydro-4H-1-benzothiophene-3-carbonitrile?
The IUPAC name of 2-amino-5,5-dimethyl-6,7-dihydro-4H-1-benzothiophene-3-carbonitrile (CID 130239743) is 2-amino-5,5-dimethyl-6,7-dihydro-4H-1-benzothiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-5,5-dimethyl-6,7-dihydro-4H-1-benzothiophene-3-carbonitrile?
The canonical SMILES for 2-amino-5,5-dimethyl-6,7-dihydro-4H-1-benzothiophene-3-carbonitrile is CC1(C)CCc2sc(N)c(C#N)c2C1.
What is the InChIKey of 2-amino-5,5-dimethyl-6,7-dihydro-4H-1-benzothiophene-3-carbonitrile?
The InChIKey is XJJOMZWFQXDFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-11(2)4-3-9-7(5-11)8(6-12)10(13)14-9/h3-5,13H2,1-2H3.
What are the key properties of 2-amino-5,5-dimethyl-6,7-dihydro-4H-1-benzothiophene-3-carbonitrile?
2-amino-5,5-dimethyl-6,7-dihydro-4H-1-benzothiophene-3-carbonitrile has a molecular weight of 206.31 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5-dimethyl-6,7-dihydro-4H-1-benzothiophene-3-carbonitrile is sourced from PubChem (CID 130239743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).