(3R,3'R,3'aS,4aR,6'S,6aR,6bS,12aS,12bS)-3',6',11,12b-tetramethyl-3-(sulfamoylamino)spiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]

C28H47N3O3S — CID 146886805

About (3R,3'R,3'aS,4aR,6'S,6aR,6bS,12aS,12bS)-3',6',11,12b-tetramethyl-3-(sulfamoylamino)spiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]

(3R,3'R,3'aS,4aR,6'S,6aR,6bS,12aS,12bS)-3',6',11,12b-tetramethyl-3-(sulfamoylamino)spiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine] (PubChem CID 146886805) has the molecular formula C28H47N3O3S and a molecular weight of 505.77 g/mol. Its IUPAC name is (3R,3'R,3'aS,4aR,6'S,6aR,6bS,12aS,12bS)-3',6',11,12b-tetramethyl-3-(sulfamoylamino)spiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine].

Molecular Properties

• Compound Name: (3R,3'R,3'aS,4aR,6'S,6aR,6bS,12aS,12bS)-3',6',11,12b-tetramethyl-3-(sulfamoylamino)spiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]
• PubChem CID: 146886805
• Molecular Formula: C28H47N3O3S
• Molecular Weight: 505.77 g/mol
• Exact Mass: 505.33
• IUPAC Name: (3R,3'R,3'aS,4aR,6'S,6aR,6bS,12aS,12bS)-3',6',11,12b-tetramethyl-3-(sulfamoylamino)spiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]
• SMILES: CC1=C2C[C@H]3[C@@H](CC[C@@H]4C[C@H](NS(N)(=O)=O)CC[C@@]43C)[C@@H]2CCC2(C1)OC1C[C@H](C)CN[C@H]1[C@H]2C
• InChI: InChI=1S/C28H47N3O3S/c1-16-11-25-26(30-15-16)18(3)28(34-25)10-8-21-22-6-5-19-12-20(31-35(29,32)33)7-9-27(19,4)24(22)13-23(21)17(2)14-28/h16,18-22,24-26,30-31H,5-15H2,1-4H3,(H2,29,32,33)/t16-,18+,19+,20+,21-,22-,24-,25?,26-,27-,28?/m0/s1
• InChIKey: SXIARJJZYKWGJE-KBQAYQDCSA-N
• XLogP: 4.27
• TPSA: 93.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.77
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R,3'R,3'aS,4aR,6'S,6aR,6bS,12aS,12bS)-3',6',11,12b-tetramethyl-3-(sulfamoylamino)spiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]?

The IUPAC name of (3R,3'R,3'aS,4aR,6'S,6aR,6bS,12aS,12bS)-3',6',11,12b-tetramethyl-3-(sulfamoylamino)spiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine] (CID 146886805) is (3R,3'R,3'aS,4aR,6'S,6aR,6bS,12aS,12bS)-3',6',11,12b-tetramethyl-3-(sulfamoylamino)spiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine].

What is the SMILES notation for (3R,3'R,3'aS,4aR,6'S,6aR,6bS,12aS,12bS)-3',6',11,12b-tetramethyl-3-(sulfamoylamino)spiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]?

The canonical SMILES for (3R,3'R,3'aS,4aR,6'S,6aR,6bS,12aS,12bS)-3',6',11,12b-tetramethyl-3-(sulfamoylamino)spiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine] is CC1=C2C[C@H]3[C@@H](CC[C@@H]4C[C@H](NS(N)(=O)=O)CC[C@@]43C)[C@@H]2CCC2(C1)OC1C[C@H](C)CN[C@H]1[C@H]2C.

What is the InChIKey of (3R,3'R,3'aS,4aR,6'S,6aR,6bS,12aS,12bS)-3',6',11,12b-tetramethyl-3-(sulfamoylamino)spiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]?

The InChIKey is SXIARJJZYKWGJE-KBQAYQDCSA-N. The full InChI is InChI=1S/C28H47N3O3S/c1-16-11-25-26(30-15-16)18(3)28(34-25)10-8-21-22-6-5-19-12-20(31-35(29,32)33)7-9-27(19,4)24(22)13-23(21)17(2)14-28/h16,18-22,24-26,30-31H,5-15H2,1-4H3,(H2,29,32,33)/t16-,18+,19+,20+,21-,22-,24-,25?,26-,27-,28?/m0/s1.

What are the key properties of (3R,3'R,3'aS,4aR,6'S,6aR,6bS,12aS,12bS)-3',6',11,12b-tetramethyl-3-(sulfamoylamino)spiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]?

(3R,3'R,3'aS,4aR,6'S,6aR,6bS,12aS,12bS)-3',6',11,12b-tetramethyl-3-(sulfamoylamino)spiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine] has a molecular weight of 505.77 g/mol, XLogP of 4.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,3'R,3'aS,4aR,6'S,6aR,6bS,12aS,12bS)-3',6',11,12b-tetramethyl-3-(sulfamoylamino)spiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine] is sourced from PubChem (CID 146886805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).