4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine

C9H14N2S — CID 162375795

IUPAC4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine
SMILESCC1CCCc2sc(N)c(N)c21
InChIInChI=1S/C9H14N2S/c1-5-3-2-4-6-7(5)8(10)9(11)12-6/h5H,2-4,10-11H2,1H3
InChIKeyQSABVGFSAMBIFZ-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.35
Rot. Bonds

About 4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine

4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine (PubChem CID 162375795) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine.

Molecular Properties

Compound Name4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine
PubChem CID162375795
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine
SMILESCC1CCCc2sc(N)c(N)c21
InChIInChI=1S/C9H14N2S/c1-5-3-2-4-6-7(5)8(10)9(11)12-6/h5H,2-4,10-11H2,1H3
InChIKeyQSABVGFSAMBIFZ-UHFFFAOYSA-N
XLogP2.35
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine 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-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 591762
2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 591744
2-Amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 12342316
(4R)-2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 42579961
Benzo[b]thiophen-2-amine, 4,5,6,7-tetrahydro-3-methyl-
CID 54397061
2-amino-4-fluoro-4-propan-2-yl-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile
CID 164878568
2-Amino-5-fluoro-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 164878785
2-Amino-4-ethyl-5-fluoro-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 164878875
2-Amino-7-fluoro-4-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 164879059
2-Amino-6-fluoro-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 164879131
2-Amino-5-fluoro-4-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 166533391
2-Amino-7-fluoro-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 166533467

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine?
The IUPAC name of 4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine (CID 162375795) is 4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine.
What is the SMILES notation for 4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine?
The canonical SMILES for 4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine is CC1CCCc2sc(N)c(N)c21.
What is the InChIKey of 4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine?
The InChIKey is QSABVGFSAMBIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-5-3-2-4-6-7(5)8(10)9(11)12-6/h5H,2-4,10-11H2,1H3.
What are the key properties of 4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine?
4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine has a molecular weight of 182.29 g/mol, XLogP of 2.35, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine is sourced from PubChem (CID 162375795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).