(4aS,5R,10bS)-5-cyclohexyl-N-propyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-9-sulfonamide

C21H32N2O3S — CID 71655543

IUPAC(4aS,5R,10bS)-5-cyclohexyl-N-propyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-9-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CCCCC1)N2
InChIInChI=1S/C21H32N2O3S/c1-2-12-22-27(24,25)16-10-11-19-18(14-16)21-17(9-6-13-26-21)20(23-19)15-7-4-3-5-8-15/h10-11,14-15,17,20-23H,2-9,12-13H2,1H3/t17-,20+,21-/m0/s1
InChIKeyWPCFQWDESUJIEX-WMQCIHAUSA-N
MW392.57 g/mol
LogP4.22
Rot. Bonds5

About (4aS,5R,10bS)-5-cyclohexyl-N-propyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-9-sulfonamide

(4aS,5R,10bS)-5-cyclohexyl-N-propyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-9-sulfonamide (PubChem CID 71655543) has the molecular formula C21H32N2O3S and a molecular weight of 392.57 g/mol. Its IUPAC name is (4aS,5R,10bS)-5-cyclohexyl-N-propyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-9-sulfonamide.

Molecular Properties

Compound Name(4aS,5R,10bS)-5-cyclohexyl-N-propyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-9-sulfonamide
PubChem CID71655543
Molecular FormulaC21H32N2O3S
Molecular Weight392.57 g/mol
Exact Mass392.21
IUPAC Name(4aS,5R,10bS)-5-cyclohexyl-N-propyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-9-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CCCCC1)N2
InChIInChI=1S/C21H32N2O3S/c1-2-12-22-27(24,25)16-10-11-19-18(14-16)21-17(9-6-13-26-21)20(23-19)15-7-4-3-5-8-15/h10-11,14-15,17,20-23H,2-9,12-13H2,1H3/t17-,20+,21-/m0/s1
InChIKeyWPCFQWDESUJIEX-WMQCIHAUSA-N
XLogP4.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4aS,5R,10bS)-5-cyclohexyl-N-propyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-9-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,5R,10bS)-5-cyclohexyl-N-propyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-9-sulfonamide?
The IUPAC name of (4aS,5R,10bS)-5-cyclohexyl-N-propyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-9-sulfonamide (CID 71655543) is (4aS,5R,10bS)-5-cyclohexyl-N-propyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-9-sulfonamide.
What is the SMILES notation for (4aS,5R,10bS)-5-cyclohexyl-N-propyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-9-sulfonamide?
The canonical SMILES for (4aS,5R,10bS)-5-cyclohexyl-N-propyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-9-sulfonamide is CCCNS(=O)(=O)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CCCCC1)N2.
What is the InChIKey of (4aS,5R,10bS)-5-cyclohexyl-N-propyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-9-sulfonamide?
The InChIKey is WPCFQWDESUJIEX-WMQCIHAUSA-N. The full InChI is InChI=1S/C21H32N2O3S/c1-2-12-22-27(24,25)16-10-11-19-18(14-16)21-17(9-6-13-26-21)20(23-19)15-7-4-3-5-8-15/h10-11,14-15,17,20-23H,2-9,12-13H2,1H3/t17-,20+,21-/m0/s1.
What are the key properties of (4aS,5R,10bS)-5-cyclohexyl-N-propyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-9-sulfonamide?
(4aS,5R,10bS)-5-cyclohexyl-N-propyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-9-sulfonamide has a molecular weight of 392.57 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,5R,10bS)-5-cyclohexyl-N-propyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-9-sulfonamide is sourced from PubChem (CID 71655543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).