9-methyl-8,9-dihydrodibenzothiophen-4-amine

C13H13NS — CID 129310864

IUPAC9-methyl-8,9-dihydrodibenzothiophen-4-amine
SMILESCC1CC=Cc2sc3c(N)cccc3c21
InChIInChI=1S/C13H13NS/c1-8-4-2-7-11-12(8)9-5-3-6-10(14)13(9)15-11/h2-3,5-8H,4,14H2,1H3
InChIKeyLGGGKTUJYYOKEM-UHFFFAOYSA-N
MW215.32 g/mol
LogP4.00
Rot. Bonds

About 9-methyl-8,9-dihydrodibenzothiophen-4-amine

9-methyl-8,9-dihydrodibenzothiophen-4-amine (PubChem CID 129310864) has the molecular formula C13H13NS and a molecular weight of 215.32 g/mol. Its IUPAC name is 9-methyl-8,9-dihydrodibenzothiophen-4-amine.

Molecular Properties

Compound Name9-methyl-8,9-dihydrodibenzothiophen-4-amine
PubChem CID129310864
Molecular FormulaC13H13NS
Molecular Weight215.32 g/mol
Exact Mass215.08
IUPAC Name9-methyl-8,9-dihydrodibenzothiophen-4-amine
SMILESCC1CC=Cc2sc3c(N)cccc3c21
InChIInChI=1S/C13H13NS/c1-8-4-2-7-11-12(8)9-5-3-6-10(14)13(9)15-11/h2-3,5-8H,4,14H2,1H3
InChIKeyLGGGKTUJYYOKEM-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-8,9-dihydrodibenzothiophen-4-amine?
The IUPAC name of 9-methyl-8,9-dihydrodibenzothiophen-4-amine (CID 129310864) is 9-methyl-8,9-dihydrodibenzothiophen-4-amine.
What is the SMILES notation for 9-methyl-8,9-dihydrodibenzothiophen-4-amine?
The canonical SMILES for 9-methyl-8,9-dihydrodibenzothiophen-4-amine is CC1CC=Cc2sc3c(N)cccc3c21.
What is the InChIKey of 9-methyl-8,9-dihydrodibenzothiophen-4-amine?
The InChIKey is LGGGKTUJYYOKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NS/c1-8-4-2-7-11-12(8)9-5-3-6-10(14)13(9)15-11/h2-3,5-8H,4,14H2,1H3.
What are the key properties of 9-methyl-8,9-dihydrodibenzothiophen-4-amine?
9-methyl-8,9-dihydrodibenzothiophen-4-amine has a molecular weight of 215.32 g/mol, XLogP of 4.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-8,9-dihydrodibenzothiophen-4-amine is sourced from PubChem (CID 129310864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).