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

C19H30N2O2S — CID 14107010

IUPACN-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2,2-trimethylpropane-1-sulfonamide
SMILESCN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)CC(C)(C)C
InChIInChI=1S/C19H30N2O2S/c1-19(2,3)14-24(22,23)20(4)16-10-12-21-11-9-15-7-5-6-8-17(15)18(21)13-16/h5-8,16,18H,9-14H2,1-4H3/t16-,18+/m1/s1
InChIKeyONDKADWCOCSIHU-AEFFLSMTSA-N
MW350.53 g/mol
LogP3.06
Rot. Bonds3

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

N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2,2-trimethylpropane-1-sulfonamide (PubChem CID 14107010) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2,2-trimethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2,2-trimethylpropane-1-sulfonamide
PubChem CID14107010
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC NameN-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2,2-trimethylpropane-1-sulfonamide
SMILESCN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)CC(C)(C)C
InChIInChI=1S/C19H30N2O2S/c1-19(2,3)14-24(22,23)20(4)16-10-12-21-11-9-15-7-5-6-8-17(15)18(21)13-16/h5-8,16,18H,9-14H2,1-4H3/t16-,18+/m1/s1
InChIKeyONDKADWCOCSIHU-AEFFLSMTSA-N
XLogP3.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.06
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,2,2-trimethylpropane-1-sulfonamide?
The IUPAC name of N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2,2-trimethylpropane-1-sulfonamide (CID 14107010) is N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2,2-trimethylpropane-1-sulfonamide.
What is the SMILES notation for N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2,2-trimethylpropane-1-sulfonamide?
The canonical SMILES for N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2,2-trimethylpropane-1-sulfonamide is CN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)CC(C)(C)C.
What is the InChIKey of N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2,2-trimethylpropane-1-sulfonamide?
The InChIKey is ONDKADWCOCSIHU-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-19(2,3)14-24(22,23)20(4)16-10-12-21-11-9-15-7-5-6-8-17(15)18(21)13-16/h5-8,16,18H,9-14H2,1-4H3/t16-,18+/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,2,2-trimethylpropane-1-sulfonamide?
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N,2,2-trimethylpropane-1-sulfonamide has a molecular weight of 350.53 g/mol, XLogP of 3.06, 3 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,2,2-trimethylpropane-1-sulfonamide is sourced from PubChem (CID 14107010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).