N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide;hydrochloride

C15H23ClN2O2S — CID 12783188

IUPACN-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide;hydrochloride
SMILESCN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(C)(=O)=O.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-16(20(2,18)19)13-8-10-17-9-7-12-5-3-4-6-14(12)15(17)11-13;/h3-6,13,15H,7-11H2,1-2H3;1H/t13-,15+;/m1./s1
InChIKeyARHUCRWSBJCQOH-PBCQUBLHSA-N
MW330.88 g/mol
LogP2.06
Rot. Bonds2

About N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide;hydrochloride

N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide;hydrochloride (PubChem CID 12783188) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide;hydrochloride
PubChem CID12783188
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC NameN-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide;hydrochloride
SMILESCN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(C)(=O)=O.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-16(20(2,18)19)13-8-10-17-9-7-12-5-3-4-6-14(12)15(17)11-13;/h3-6,13,15H,7-11H2,1-2H3;1H/t13-,15+;/m1./s1
InChIKeyARHUCRWSBJCQOH-PBCQUBLHSA-N
XLogP2.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide;hydrochloride?
The IUPAC name of N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide;hydrochloride (CID 12783188) is N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide;hydrochloride?
The canonical SMILES for N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide;hydrochloride is CN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(C)(=O)=O.Cl.
What is the InChIKey of N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide;hydrochloride?
The InChIKey is ARHUCRWSBJCQOH-PBCQUBLHSA-N. The full InChI is InChI=1S/C15H22N2O2S.ClH/c1-16(20(2,18)19)13-8-10-17-9-7-12-5-3-4-6-14(12)15(17)11-13;/h3-6,13,15H,7-11H2,1-2H3;1H/t13-,15+;/m1./s1.
What are the key properties of N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide;hydrochloride?
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide;hydrochloride has a molecular weight of 330.88 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 12783188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).