(6aS)-6a,7,8,9,10,12-hexahydro-[1]benzothiolo[2,3-b]quinolizin-6-one

C15H15NOS — CID 7720823

IUPAC(6aS)-6a,7,8,9,10,12-hexahydro-[1]benzothiolo[2,3-b]quinolizin-6-one
SMILESO=C1c2sc3ccccc3c2CN2CCCC[C@@H]12
InChIInChI=1S/C15H15NOS/c17-14-12-6-3-4-8-16(12)9-11-10-5-1-2-7-13(10)18-15(11)14/h1-2,5,7,12H,3-4,6,8-9H2/t12-/m0/s1
InChIKeyBPYOVRFNYCOZTJ-LBPRGKRZSA-N
MW257.36 g/mol
LogP3.45
Rot. Bonds

About (6aS)-6a,7,8,9,10,12-hexahydro-[1]benzothiolo[2,3-b]quinolizin-6-one

(6aS)-6a,7,8,9,10,12-hexahydro-[1]benzothiolo[2,3-b]quinolizin-6-one (PubChem CID 7720823) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is (6aS)-6a,7,8,9,10,12-hexahydro-[1]benzothiolo[2,3-b]quinolizin-6-one.

Molecular Properties

Compound Name(6aS)-6a,7,8,9,10,12-hexahydro-[1]benzothiolo[2,3-b]quinolizin-6-one
PubChem CID7720823
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name(6aS)-6a,7,8,9,10,12-hexahydro-[1]benzothiolo[2,3-b]quinolizin-6-one
SMILESO=C1c2sc3ccccc3c2CN2CCCC[C@@H]12
InChIInChI=1S/C15H15NOS/c17-14-12-6-3-4-8-16(12)9-11-10-5-1-2-7-13(10)18-15(11)14/h1-2,5,7,12H,3-4,6,8-9H2/t12-/m0/s1
InChIKeyBPYOVRFNYCOZTJ-LBPRGKRZSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6aS)-6a,7,8,9,10,12-hexahydro-[1]benzothiolo[2,3-b]quinolizin-6-one with MolForge

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Related Compounds

(3S)-17-thia-7-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene-2,8-dione
CID 10707261
(3aS)-1,2,3,3a,4,10-hexahydro-[1]benzothiolo[2,3-f]indolizine
CID 101464496
4a,5,6,7,8,10-hexahydrothieno[3,2-b]quinolizin-4-one
CID 11820348
(3aS)-3,3a,4,10-tetrahydro-2H-[1]benzothiolo[2,3-f]indolizin-1-one
CID 101464495
(4S)-1,2,3,4-tetrahydrodibenzothiophen-4-amine
CID 81453544
2-(2-methylpiperidin-1-yl)-1,3-benzothiazin-4-one
CID 25230888
6a,7,8,9,10,12-hexahydro-6H-quinolino[2,3-b]quinolizine-13-carboxamide
CID 10540789
2-methyl-1,3,4,5-tetrahydro-[1]benzothiolo[2,3-c]azepine
CID 155294664
10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione
CID 10615659
9-methoxy-1,2,3,4,6,11a-hexahydrobenzo[b]quinolizin-11-one
CID 15521808
(9aR)-4,6,7,8,9,9a-hexahydroquinolizine-1,3-dione
CID 124679495
[2-(hydroxymethyl)piperidin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 43421254

Frequently Asked Questions

What is the IUPAC name of (6aS)-6a,7,8,9,10,12-hexahydro-[1]benzothiolo[2,3-b]quinolizin-6-one?
The IUPAC name of (6aS)-6a,7,8,9,10,12-hexahydro-[1]benzothiolo[2,3-b]quinolizin-6-one (CID 7720823) is (6aS)-6a,7,8,9,10,12-hexahydro-[1]benzothiolo[2,3-b]quinolizin-6-one.
What is the SMILES notation for (6aS)-6a,7,8,9,10,12-hexahydro-[1]benzothiolo[2,3-b]quinolizin-6-one?
The canonical SMILES for (6aS)-6a,7,8,9,10,12-hexahydro-[1]benzothiolo[2,3-b]quinolizin-6-one is O=C1c2sc3ccccc3c2CN2CCCC[C@@H]12.
What is the InChIKey of (6aS)-6a,7,8,9,10,12-hexahydro-[1]benzothiolo[2,3-b]quinolizin-6-one?
The InChIKey is BPYOVRFNYCOZTJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15NOS/c17-14-12-6-3-4-8-16(12)9-11-10-5-1-2-7-13(10)18-15(11)14/h1-2,5,7,12H,3-4,6,8-9H2/t12-/m0/s1.
What are the key properties of (6aS)-6a,7,8,9,10,12-hexahydro-[1]benzothiolo[2,3-b]quinolizin-6-one?
(6aS)-6a,7,8,9,10,12-hexahydro-[1]benzothiolo[2,3-b]quinolizin-6-one has a molecular weight of 257.36 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS)-6a,7,8,9,10,12-hexahydro-[1]benzothiolo[2,3-b]quinolizin-6-one is sourced from PubChem (CID 7720823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).