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

C15H22N2O2S — CID 6923554

IUPACN-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide
SMILESCN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(C)(=O)=O
InChIInChI=1S/C15H22N2O2S/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/t13-,15+/m1/s1
InChIKeyKJTKDAHVWBKJDZ-HIFRSBDPSA-N
MW294.42 g/mol
LogP1.64
Rot. Bonds2

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

N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide (PubChem CID 6923554) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide
PubChem CID6923554
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide
SMILESCN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(C)(=O)=O
InChIInChI=1S/C15H22N2O2S/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/t13-,15+/m1/s1
InChIKeyKJTKDAHVWBKJDZ-HIFRSBDPSA-N
XLogP1.64
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.64
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?
The IUPAC name of N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide (CID 6923554) is N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide is CN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(C)(=O)=O.
What is the InChIKey of N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide?
The InChIKey is KJTKDAHVWBKJDZ-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H22N2O2S/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/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?
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylmethanesulfonamide has a molecular weight of 294.42 g/mol, XLogP of 1.64, 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 is sourced from PubChem (CID 6923554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).