N-(6-bromo-4'-propan-2-yloxyspiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclohexane]-1-ylidene)-2-methylpropane-2-sulfinamide

C23H32BrNO2S — CID 163529848

About N-(6-bromo-4'-propan-2-yloxyspiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclohexane]-1-ylidene)-2-methylpropane-2-sulfinamide

N-(6-bromo-4'-propan-2-yloxyspiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclohexane]-1-ylidene)-2-methylpropane-2-sulfinamide (PubChem CID 163529848) has the molecular formula C23H32BrNO2S and a molecular weight of 466.49 g/mol. Its IUPAC name is N-(6-bromo-4'-propan-2-yloxyspiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclohexane]-1-ylidene)-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: N-(6-bromo-4'-propan-2-yloxyspiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclohexane]-1-ylidene)-2-methylpropane-2-sulfinamide
• PubChem CID: 163529848
• Molecular Formula: C23H32BrNO2S
• Molecular Weight: 466.49 g/mol
• Exact Mass: 465.13
• IUPAC Name: N-(6-bromo-4'-propan-2-yloxyspiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclohexane]-1-ylidene)-2-methylpropane-2-sulfinamide
• SMILES: CC(C)OC1CCC2(CC1)Cc1ccc(Br)cc1C1C(=NS(=O)C(C)(C)C)C12
• InChI: InChI=1S/C23H32BrNO2S/c1-14(2)27-17-8-10-23(11-9-17)13-15-6-7-16(24)12-18(15)19-20(23)21(19)25-28(26)22(3,4)5/h6-7,12,14,17,19-20H,8-11,13H2,1-5H3
• InChIKey: DRZLSIRAJJAXHL-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 38.66 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.49
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-4'-propan-2-yloxyspiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclohexane]-1-ylidene)-2-methylpropane-2-sulfinamide?

The IUPAC name of N-(6-bromo-4'-propan-2-yloxyspiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclohexane]-1-ylidene)-2-methylpropane-2-sulfinamide (CID 163529848) is N-(6-bromo-4'-propan-2-yloxyspiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclohexane]-1-ylidene)-2-methylpropane-2-sulfinamide.

What is the SMILES notation for N-(6-bromo-4'-propan-2-yloxyspiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclohexane]-1-ylidene)-2-methylpropane-2-sulfinamide?

The canonical SMILES for N-(6-bromo-4'-propan-2-yloxyspiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclohexane]-1-ylidene)-2-methylpropane-2-sulfinamide is CC(C)OC1CCC2(CC1)Cc1ccc(Br)cc1C1C(=NS(=O)C(C)(C)C)C12.

What is the InChIKey of N-(6-bromo-4'-propan-2-yloxyspiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclohexane]-1-ylidene)-2-methylpropane-2-sulfinamide?

The InChIKey is DRZLSIRAJJAXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32BrNO2S/c1-14(2)27-17-8-10-23(11-9-17)13-15-6-7-16(24)12-18(15)19-20(23)21(19)25-28(26)22(3,4)5/h6-7,12,14,17,19-20H,8-11,13H2,1-5H3.

What are the key properties of N-(6-bromo-4'-propan-2-yloxyspiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclohexane]-1-ylidene)-2-methylpropane-2-sulfinamide?

N-(6-bromo-4'-propan-2-yloxyspiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclohexane]-1-ylidene)-2-methylpropane-2-sulfinamide has a molecular weight of 466.49 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-bromo-4'-propan-2-yloxyspiro[3,7b-dihydro-1aH-cyclopropa[a]naphthalene-2,1'-cyclohexane]-1-ylidene)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 163529848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).