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

C17H26N2O2S — CID 14106995

IUPACN-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-propylmethanesulfonamide
SMILESCCCN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(C)(=O)=O
InChIInChI=1S/C17H26N2O2S/c1-3-10-19(22(2,20)21)15-9-12-18-11-8-14-6-4-5-7-16(14)17(18)13-15/h4-7,15,17H,3,8-13H2,1-2H3/t15-,17+/m1/s1
InChIKeyWNRFIJKGCDYTQG-WBVHZDCISA-N
MW322.47 g/mol
LogP2.42
Rot. Bonds4

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

N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-propylmethanesulfonamide (PubChem CID 14106995) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-propylmethanesulfonamide
PubChem CID14106995
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-propylmethanesulfonamide
SMILESCCCN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(C)(=O)=O
InChIInChI=1S/C17H26N2O2S/c1-3-10-19(22(2,20)21)15-9-12-18-11-8-14-6-4-5-7-16(14)17(18)13-15/h4-7,15,17H,3,8-13H2,1-2H3/t15-,17+/m1/s1
InChIKeyWNRFIJKGCDYTQG-WBVHZDCISA-N
XLogP2.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.42
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-propylmethanesulfonamide?
The IUPAC name of N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-propylmethanesulfonamide (CID 14106995) is N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-propylmethanesulfonamide.
What is the SMILES notation for N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-propylmethanesulfonamide?
The canonical SMILES for N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-propylmethanesulfonamide is CCCN([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-propylmethanesulfonamide?
The InChIKey is WNRFIJKGCDYTQG-WBVHZDCISA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-3-10-19(22(2,20)21)15-9-12-18-11-8-14-6-4-5-7-16(14)17(18)13-15/h4-7,15,17H,3,8-13H2,1-2H3/t15-,17+/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-propylmethanesulfonamide?
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-propylmethanesulfonamide has a molecular weight of 322.47 g/mol, XLogP of 2.42, 4 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-propylmethanesulfonamide is sourced from PubChem (CID 14106995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).