(10bR)-4'-methyl-2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]

C20H22N2OS — CID 7741474

About (10bR)-4'-methyl-2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]

(10bR)-4'-methyl-2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] (PubChem CID 7741474) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is (10bR)-4'-methyl-2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane].

Molecular Properties

• Compound Name: (10bR)-4'-methyl-2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
• PubChem CID: 7741474
• Molecular Formula: C20H22N2OS
• Molecular Weight: 338.48 g/mol
• Exact Mass: 338.15
• IUPAC Name: (10bR)-4'-methyl-2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
• SMILES: CC1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccs3)=NN12
• InChI: InChI=1S/C20H22N2OS/c1-14-8-10-20(11-9-14)22-17(15-5-2-3-6-18(15)23-20)13-16(21-22)19-7-4-12-24-19/h2-7,12,14,17H,8-11,13H2,1H3/t14?,17-,20?/m1/s1
• InChIKey: IUKJYCAYJLKFRG-GBXVCHKXSA-N
• XLogP: 5.20
• TPSA: 24.83 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	338.48
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (10bR)-4'-methyl-2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]?

The IUPAC name of (10bR)-4'-methyl-2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] (CID 7741474) is (10bR)-4'-methyl-2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane].

What is the SMILES notation for (10bR)-4'-methyl-2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]?

The canonical SMILES for (10bR)-4'-methyl-2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] is CC1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccs3)=NN12.

What is the InChIKey of (10bR)-4'-methyl-2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]?

The InChIKey is IUKJYCAYJLKFRG-GBXVCHKXSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-14-8-10-20(11-9-14)22-17(15-5-2-3-6-18(15)23-20)13-16(21-22)19-7-4-12-24-19/h2-7,12,14,17H,8-11,13H2,1H3/t14?,17-,20?/m1/s1.

What are the key properties of (10bR)-4'-methyl-2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]?

(10bR)-4'-methyl-2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] has a molecular weight of 338.48 g/mol, XLogP of 5.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (10bR)-4'-methyl-2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane] is sourced from PubChem (CID 7741474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).