N-methyl-6,7,8,9-tetrahydro-5aH-dibenzothiophen-9a-amine

C13H17NS — CID 15657775

IUPACN-methyl-6,7,8,9-tetrahydro-5aH-dibenzothiophen-9a-amine
SMILESCNC12CCCCC1Sc1ccccc12
InChIInChI=1S/C13H17NS/c1-14-13-9-5-4-8-12(13)15-11-7-3-2-6-10(11)13/h2-3,6-7,12,14H,4-5,8-9H2,1H3
InChIKeyUJAGPRIPNDJMED-UHFFFAOYSA-N
MW219.35 g/mol
LogP3.15
Rot. Bonds1

About N-methyl-6,7,8,9-tetrahydro-5aH-dibenzothiophen-9a-amine

N-methyl-6,7,8,9-tetrahydro-5aH-dibenzothiophen-9a-amine (PubChem CID 15657775) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is N-methyl-6,7,8,9-tetrahydro-5aH-dibenzothiophen-9a-amine.

Molecular Properties

Compound NameN-methyl-6,7,8,9-tetrahydro-5aH-dibenzothiophen-9a-amine
PubChem CID15657775
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC NameN-methyl-6,7,8,9-tetrahydro-5aH-dibenzothiophen-9a-amine
SMILESCNC12CCCCC1Sc1ccccc12
InChIInChI=1S/C13H17NS/c1-14-13-9-5-4-8-12(13)15-11-7-3-2-6-10(11)13/h2-3,6-7,12,14H,4-5,8-9H2,1H3
InChIKeyUJAGPRIPNDJMED-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-6,7,8,9-tetrahydro-5aH-dibenzothiophen-9a-amine 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 N-methyl-6,7,8,9-tetrahydro-5aH-dibenzothiophen-9a-amine?
The IUPAC name of N-methyl-6,7,8,9-tetrahydro-5aH-dibenzothiophen-9a-amine (CID 15657775) is N-methyl-6,7,8,9-tetrahydro-5aH-dibenzothiophen-9a-amine.
What is the SMILES notation for N-methyl-6,7,8,9-tetrahydro-5aH-dibenzothiophen-9a-amine?
The canonical SMILES for N-methyl-6,7,8,9-tetrahydro-5aH-dibenzothiophen-9a-amine is CNC12CCCCC1Sc1ccccc12.
What is the InChIKey of N-methyl-6,7,8,9-tetrahydro-5aH-dibenzothiophen-9a-amine?
The InChIKey is UJAGPRIPNDJMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-14-13-9-5-4-8-12(13)15-11-7-3-2-6-10(11)13/h2-3,6-7,12,14H,4-5,8-9H2,1H3.
What are the key properties of N-methyl-6,7,8,9-tetrahydro-5aH-dibenzothiophen-9a-amine?
N-methyl-6,7,8,9-tetrahydro-5aH-dibenzothiophen-9a-amine has a molecular weight of 219.35 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6,7,8,9-tetrahydro-5aH-dibenzothiophen-9a-amine is sourced from PubChem (CID 15657775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).