8-(benzenesulfonyl)-2,3,4,6,7,9a-hexahydro-1H-quinolizine

C15H19NO2S — CID 102203625

IUPAC8-(benzenesulfonyl)-2,3,4,6,7,9a-hexahydro-1H-quinolizine
SMILESO=S(=O)(C1=CC2CCCCN2CC1)c1ccccc1
InChIInChI=1S/C15H19NO2S/c17-19(18,14-7-2-1-3-8-14)15-9-11-16-10-5-4-6-13(16)12-15/h1-3,7-8,12-13H,4-6,9-11H2
InChIKeyQPCOXVZKSMOKLI-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.60
Rot. Bonds2

About 8-(benzenesulfonyl)-2,3,4,6,7,9a-hexahydro-1H-quinolizine

8-(benzenesulfonyl)-2,3,4,6,7,9a-hexahydro-1H-quinolizine (PubChem CID 102203625) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 8-(benzenesulfonyl)-2,3,4,6,7,9a-hexahydro-1H-quinolizine.

Molecular Properties

Compound Name8-(benzenesulfonyl)-2,3,4,6,7,9a-hexahydro-1H-quinolizine
PubChem CID102203625
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name8-(benzenesulfonyl)-2,3,4,6,7,9a-hexahydro-1H-quinolizine
SMILESO=S(=O)(C1=CC2CCCCN2CC1)c1ccccc1
InChIInChI=1S/C15H19NO2S/c17-19(18,14-7-2-1-3-8-14)15-9-11-16-10-5-4-6-13(16)12-15/h1-3,7-8,12-13H,4-6,9-11H2
InChIKeyQPCOXVZKSMOKLI-UHFFFAOYSA-N
XLogP2.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-bis(benzenesulfonyl)-1,3a,4,6a-tetrahydropentalene
CID 22298015
cyclopenten-1-ylsulfonylbenzene
CID 580522
3-(benzenesulfonyl)cyclopent-2-en-1-one
CID 12553274
1-(benzenesulfonyl)-2-cyclohexyl-5-piperidin-1-ylpiperidine
CID 67246345
2-[1-(benzenesulfonyl)piperidin-2-yl]cyclopentan-1-one
CID 79535712
1-[1-[4-(benzenesulfonyl)phenyl]ethyl]-4-cyclohexylpiperazine
CID 15392110
N-(2-methylpiperidin-1-yl)benzenesulfonamide
CID 140593026
1-(benzenesulfonyl)-2-(iodomethyl)piperidine
CID 71381040
2-(benzenesulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 6465871
(4aR,8aS)-1-[4-(benzenesulfonyl)benzoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 1269766
(4aR,8aR)-1-[4-(benzenesulfonyl)benzoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 1269767
1-(benzenesulfonyl)-2-(1-phenylethenyl)piperidine
CID 165347800

Frequently Asked Questions

What is the IUPAC name of 8-(benzenesulfonyl)-2,3,4,6,7,9a-hexahydro-1H-quinolizine?
The IUPAC name of 8-(benzenesulfonyl)-2,3,4,6,7,9a-hexahydro-1H-quinolizine (CID 102203625) is 8-(benzenesulfonyl)-2,3,4,6,7,9a-hexahydro-1H-quinolizine.
What is the SMILES notation for 8-(benzenesulfonyl)-2,3,4,6,7,9a-hexahydro-1H-quinolizine?
The canonical SMILES for 8-(benzenesulfonyl)-2,3,4,6,7,9a-hexahydro-1H-quinolizine is O=S(=O)(C1=CC2CCCCN2CC1)c1ccccc1.
What is the InChIKey of 8-(benzenesulfonyl)-2,3,4,6,7,9a-hexahydro-1H-quinolizine?
The InChIKey is QPCOXVZKSMOKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c17-19(18,14-7-2-1-3-8-14)15-9-11-16-10-5-4-6-13(16)12-15/h1-3,7-8,12-13H,4-6,9-11H2.
What are the key properties of 8-(benzenesulfonyl)-2,3,4,6,7,9a-hexahydro-1H-quinolizine?
8-(benzenesulfonyl)-2,3,4,6,7,9a-hexahydro-1H-quinolizine has a molecular weight of 277.39 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(benzenesulfonyl)-2,3,4,6,7,9a-hexahydro-1H-quinolizine is sourced from PubChem (CID 102203625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).