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

C15H20N2S — CID 122186661

IUPAC1,2,3,4,4a,7,8,9,10,11b-decahydro-[1]benzothiolo[2,3-b]quinolin-11-amine
SMILESNc1c2c(nc3c1C1CCCCC1S3)CCCC2
InChIInChI=1S/C15H20N2S/c16-14-9-5-1-3-7-11(9)17-15-13(14)10-6-2-4-8-12(10)18-15/h10,12H,1-8H2,(H2,16,17)
InChIKeyGTVDFNBZJUIHHZ-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.67
Rot. Bonds

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

1,2,3,4,4a,7,8,9,10,11b-decahydro-[1]benzothiolo[2,3-b]quinolin-11-amine (PubChem CID 122186661) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 1,2,3,4,4a,7,8,9,10,11b-decahydro-[1]benzothiolo[2,3-b]quinolin-11-amine.

Molecular Properties

Compound Name1,2,3,4,4a,7,8,9,10,11b-decahydro-[1]benzothiolo[2,3-b]quinolin-11-amine
PubChem CID122186661
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name1,2,3,4,4a,7,8,9,10,11b-decahydro-[1]benzothiolo[2,3-b]quinolin-11-amine
SMILESNc1c2c(nc3c1C1CCCCC1S3)CCCC2
InChIInChI=1S/C15H20N2S/c16-14-9-5-1-3-7-11(9)17-15-13(14)10-6-2-4-8-12(10)18-15/h10,12H,1-8H2,(H2,16,17)
InChIKeyGTVDFNBZJUIHHZ-UHFFFAOYSA-N
XLogP3.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,7,8,9,10,11b-decahydro-[1]benzothiolo[2,3-b]quinolin-11-amine?
The IUPAC name of 1,2,3,4,4a,7,8,9,10,11b-decahydro-[1]benzothiolo[2,3-b]quinolin-11-amine (CID 122186661) is 1,2,3,4,4a,7,8,9,10,11b-decahydro-[1]benzothiolo[2,3-b]quinolin-11-amine.
What is the SMILES notation for 1,2,3,4,4a,7,8,9,10,11b-decahydro-[1]benzothiolo[2,3-b]quinolin-11-amine?
The canonical SMILES for 1,2,3,4,4a,7,8,9,10,11b-decahydro-[1]benzothiolo[2,3-b]quinolin-11-amine is Nc1c2c(nc3c1C1CCCCC1S3)CCCC2.
What is the InChIKey of 1,2,3,4,4a,7,8,9,10,11b-decahydro-[1]benzothiolo[2,3-b]quinolin-11-amine?
The InChIKey is GTVDFNBZJUIHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c16-14-9-5-1-3-7-11(9)17-15-13(14)10-6-2-4-8-12(10)18-15/h10,12H,1-8H2,(H2,16,17).
What are the key properties of 1,2,3,4,4a,7,8,9,10,11b-decahydro-[1]benzothiolo[2,3-b]quinolin-11-amine?
1,2,3,4,4a,7,8,9,10,11b-decahydro-[1]benzothiolo[2,3-b]quinolin-11-amine has a molecular weight of 260.41 g/mol, XLogP of 3.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,7,8,9,10,11b-decahydro-[1]benzothiolo[2,3-b]quinolin-11-amine is sourced from PubChem (CID 122186661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).