N-(9-hydroxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-N-methylmethanesulfonamide;hydrochloride

C15H23ClN2O3S — CID 67567500

IUPACN-(9-hydroxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-N-methylmethanesulfonamide;hydrochloride
SMILESCN(C1CCN2CCc3cc(O)ccc3C2C1)S(C)(=O)=O.Cl
InChIInChI=1S/C15H22N2O3S.ClH/c1-16(21(2,19)20)12-6-8-17-7-5-11-9-13(18)3-4-14(11)15(17)10-12;/h3-4,9,12,15,18H,5-8,10H2,1-2H3;1H
InChIKeyDQIZBPRISSDAGW-UHFFFAOYSA-N
MW346.88 g/mol
LogP1.77
Rot. Bonds2

About N-(9-hydroxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-N-methylmethanesulfonamide;hydrochloride

N-(9-hydroxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-N-methylmethanesulfonamide;hydrochloride (PubChem CID 67567500) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is N-(9-hydroxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-N-methylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(9-hydroxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-N-methylmethanesulfonamide;hydrochloride
PubChem CID67567500
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC NameN-(9-hydroxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-N-methylmethanesulfonamide;hydrochloride
SMILESCN(C1CCN2CCc3cc(O)ccc3C2C1)S(C)(=O)=O.Cl
InChIInChI=1S/C15H22N2O3S.ClH/c1-16(21(2,19)20)12-6-8-17-7-5-11-9-13(18)3-4-14(11)15(17)10-12;/h3-4,9,12,15,18H,5-8,10H2,1-2H3;1H
InChIKeyDQIZBPRISSDAGW-UHFFFAOYSA-N
XLogP1.77
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(9-hydroxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-N-methylmethanesulfonamide;hydrochloride?
The IUPAC name of N-(9-hydroxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-N-methylmethanesulfonamide;hydrochloride (CID 67567500) is N-(9-hydroxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-N-methylmethanesulfonamide;hydrochloride.
What is the SMILES notation for N-(9-hydroxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-N-methylmethanesulfonamide;hydrochloride?
The canonical SMILES for N-(9-hydroxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-N-methylmethanesulfonamide;hydrochloride is CN(C1CCN2CCc3cc(O)ccc3C2C1)S(C)(=O)=O.Cl.
What is the InChIKey of N-(9-hydroxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-N-methylmethanesulfonamide;hydrochloride?
The InChIKey is DQIZBPRISSDAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S.ClH/c1-16(21(2,19)20)12-6-8-17-7-5-11-9-13(18)3-4-14(11)15(17)10-12;/h3-4,9,12,15,18H,5-8,10H2,1-2H3;1H.
What are the key properties of N-(9-hydroxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-N-methylmethanesulfonamide;hydrochloride?
N-(9-hydroxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-N-methylmethanesulfonamide;hydrochloride has a molecular weight of 346.88 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-hydroxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-N-methylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 67567500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).