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

C12H20N2S — CID 70335617

IUPAC6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine
SMILESCC(C)(C)C1CCc2c(sc(N)c2N)C1
InChIInChI=1S/C12H20N2S/c1-12(2,3)7-4-5-8-9(6-7)15-11(14)10(8)13/h7H,4-6,13-14H2,1-3H3
InChIKeyWLVGUOPEDMBQML-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.06
Rot. Bonds

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

6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine (PubChem CID 70335617) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine.

Molecular Properties

Compound Name6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine
PubChem CID70335617
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine
SMILESCC(C)(C)C1CCc2c(sc(N)c2N)C1
InChIInChI=1S/C12H20N2S/c1-12(2,3)7-4-5-8-9(6-7)15-11(14)10(8)13/h7H,4-6,13-14H2,1-3H3
InChIKeyWLVGUOPEDMBQML-UHFFFAOYSA-N
XLogP3.06
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-tert-butyl-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

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine?
The IUPAC name of 6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine (CID 70335617) is 6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine.
What is the SMILES notation for 6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine?
The canonical SMILES for 6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine is CC(C)(C)C1CCc2c(sc(N)c2N)C1.
What is the InChIKey of 6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine?
The InChIKey is WLVGUOPEDMBQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-12(2,3)7-4-5-8-9(6-7)15-11(14)10(8)13/h7H,4-6,13-14H2,1-3H3.
What are the key properties of 6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine?
6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine has a molecular weight of 224.37 g/mol, XLogP of 3.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamine is sourced from PubChem (CID 70335617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).