9-methyl-1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine

C16H20N2S — CID 2928334

IUPAC9-methyl-1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine
SMILESCC1CCc2nc3sc4c(c3c(N)c2C1)CCCC4
InChIInChI=1S/C16H20N2S/c1-9-6-7-12-11(8-9)15(17)14-10-4-2-3-5-13(10)19-16(14)18-12/h9H,2-8H2,1H3,(H2,17,18)
InChIKeyASNZHKJGGYRNAY-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.88
Rot. Bonds

About 9-methyl-1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine

9-methyl-1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine (PubChem CID 2928334) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 9-methyl-1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine.

Molecular Properties

Compound Name9-methyl-1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine
PubChem CID2928334
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name9-methyl-1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine
SMILESCC1CCc2nc3sc4c(c3c(N)c2C1)CCCC4
InChIInChI=1S/C16H20N2S/c1-9-6-7-12-11(8-9)15(17)14-10-4-2-3-5-13(10)19-16(14)18-12/h9H,2-8H2,1H3,(H2,17,18)
InChIKeyASNZHKJGGYRNAY-UHFFFAOYSA-N
XLogP3.88
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-methyl-1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine?
The IUPAC name of 9-methyl-1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine (CID 2928334) is 9-methyl-1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine.
What is the SMILES notation for 9-methyl-1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine?
The canonical SMILES for 9-methyl-1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine is CC1CCc2nc3sc4c(c3c(N)c2C1)CCCC4.
What is the InChIKey of 9-methyl-1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine?
The InChIKey is ASNZHKJGGYRNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-9-6-7-12-11(8-9)15(17)14-10-4-2-3-5-13(10)19-16(14)18-12/h9H,2-8H2,1H3,(H2,17,18).
What are the key properties of 9-methyl-1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine?
9-methyl-1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine has a molecular weight of 272.42 g/mol, XLogP of 3.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-11-amine is sourced from PubChem (CID 2928334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).