bis(2-(4-bromophenyl)-6-azaspiro[2.5]octane);[(2S)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;tert-butyl 2-(4-bromophenyl)-6-azaspiro[2.5]octane-6-carboxylate;(2R)-oxolane-2-carboxylic acid;sulfuric acid

C103H134Br6N6O19S2 — CID 157182628

IUPACbis(2-(4-bromophenyl)-6-azaspiro[2.5]octane);[(2S)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;tert-butyl 2-(4-bromophenyl)-6-azaspiro[2.5]octane-6-carboxylate;(2R)-oxolane-2-carboxylic acid;sulfuric acid
SMILESBrc1ccc(C2CC23CCNCC3)cc1.Brc1ccc(C2CC23CCNCC3)cc1.CC(C)(C)OC(=O)N1CCC2(CC1)CC2c1ccc(Br)cc1.O=C(O)[C@H]1CCCO1.O=C([C@H]1CCCO1)N1CCC2(CC1)CC2c1ccc(Br)cc1.O=C([C@H]1CCCO1)N1CCC2(CC1)C[C@@H]2c1ccc(Br)cc1.O=C([C@H]1CCCO1)N1CCC2(CC1)C[C@H]2c1ccc(Br)cc1.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/3C18H22BrNO2.C18H24BrNO2.2C13H16BrN.C5H8O3.2H2O4S/c3*19-14-5-3-13(4-6-14)15-12-18(15)7-9-20(10-8-18)17(21)16-2-1-11-22-16;1-17(2,3)22-16(21)20-10-8-18(9-11-20)12-15(18)13-4-6-14(19)7-5-13;2*14-11-3-1-10(2-4-11)12-9-13(12)5-7-15-8-6-13;6-5(7)4-2-1-3-8-4;2*1-5(2,3)4/h3*3-6,15-16H,1-2,7-12H2;4-7,15H,8-12H2,1-3H3;2*1-4,12,15H,5-9H2;4H,1-3H2,(H,6,7);2*(H2,1,2,3,4)/t15?,16-;15-,16+;15-,16-;;;;4-;;/m101...1../s1
InChIKeyLOAXDAKJTAUDIW-CRUPXYJSSA-N
MW2303.79 g/mol
LogP21.68
Rot. Bonds10

About bis(2-(4-bromophenyl)-6-azaspiro[2.5]octane);[(2S)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;tert-butyl 2-(4-bromophenyl)-6-azaspiro[2.5]octane-6-carboxylate;(2R)-oxolane-2-carboxylic acid;sulfuric acid

bis(2-(4-bromophenyl)-6-azaspiro[2.5]octane);[(2S)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;tert-butyl 2-(4-bromophenyl)-6-azaspiro[2.5]octane-6-carboxylate;(2R)-oxolane-2-carboxylic acid;sulfuric acid (PubChem CID 157182628) has the molecular formula C103H134Br6N6O19S2 and a molecular weight of 2303.79 g/mol. Its IUPAC name is bis(2-(4-bromophenyl)-6-azaspiro[2.5]octane);[(2S)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;tert-butyl 2-(4-bromophenyl)-6-azaspiro[2.5]octane-6-carboxylate;(2R)-oxolane-2-carboxylic acid;sulfuric acid.

Molecular Properties

Compound Namebis(2-(4-bromophenyl)-6-azaspiro[2.5]octane);[(2S)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;tert-butyl 2-(4-bromophenyl)-6-azaspiro[2.5]octane-6-carboxylate;(2R)-oxolane-2-carboxylic acid;sulfuric acid
PubChem CID157182628
Molecular FormulaC103H134Br6N6O19S2
Molecular Weight2303.79 g/mol
Exact Mass2296.42
IUPAC Namebis(2-(4-bromophenyl)-6-azaspiro[2.5]octane);[(2S)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;tert-butyl 2-(4-bromophenyl)-6-azaspiro[2.5]octane-6-carboxylate;(2R)-oxolane-2-carboxylic acid;sulfuric acid
SMILESBrc1ccc(C2CC23CCNCC3)cc1.Brc1ccc(C2CC23CCNCC3)cc1.CC(C)(C)OC(=O)N1CCC2(CC1)CC2c1ccc(Br)cc1.O=C(O)[C@H]1CCCO1.O=C([C@H]1CCCO1)N1CCC2(CC1)CC2c1ccc(Br)cc1.O=C([C@H]1CCCO1)N1CCC2(CC1)C[C@@H]2c1ccc(Br)cc1.O=C([C@H]1CCCO1)N1CCC2(CC1)C[C@H]2c1ccc(Br)cc1.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/3C18H22BrNO2.C18H24BrNO2.2C13H16BrN.C5H8O3.2H2O4S/c3*19-14-5-3-13(4-6-14)15-12-18(15)7-9-20(10-8-18)17(21)16-2-1-11-22-16;1-17(2,3)22-16(21)20-10-8-18(9-11-20)12-15(18)13-4-6-14(19)7-5-13;2*14-11-3-1-10(2-4-11)12-9-13(12)5-7-15-8-6-13;6-5(7)4-2-1-3-8-4;2*1-5(2,3)4/h3*3-6,15-16H,1-2,7-12H2;4-7,15H,8-12H2,1-3H3;2*1-4,12,15H,5-9H2;4H,1-3H2,(H,6,7);2*(H2,1,2,3,4)/t15?,16-;15-,16+;15-,16-;;;;4-;;/m101...1../s1
InChIKeyLOAXDAKJTAUDIW-CRUPXYJSSA-N
XLogP21.68
TPSA337.95 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002303.79
LogP ≤ 521.68
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze bis(2-(4-bromophenyl)-6-azaspiro[2.5]octane);[(2S)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;tert-butyl 2-(4-bromophenyl)-6-azaspiro[2.5]octane-6-carboxylate;(2R)-oxolane-2-carboxylic acid;sulfuric acid with MolForge

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Related Compounds

[2-(4-bromophenyl)-5-azaspiro[2.4]heptan-5-yl]-[(2R)-oxolan-2-yl]methanone
CID 146471082
[(2S)-2-(4-methylphenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
CID 146504722
1,3-benzoxazole-6-carboxylic acid;[2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;bis(tert-butyl 1,3-benzoxazole-6-carboxylate);tert-butyl 2-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]-1,3-benzoxazole-6-carboxylate;methane;2-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]-1,3-benzoxazole-6-carboxylic acid;2-[4-[(2R)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]-1,3-benzoxazole-6-carboxylic acid
CID 158816181
3-fluoro-5-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471204
3-chloro-4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471120
4-chloro-3-methyl-5-[4-[(2R)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146470961
3-chloro-4-methoxy-5-[4-[6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471150
[(2R)-2-[4-[4-[hydroxy(methoxy)methyl]piperidin-2-yl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
CID 146554960
3-[4-[(2R)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-4-(trifluoromethyl)benzoic acid
CID 146471160
4-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]pyridine-2-carboxylic acid
CID 146471193
tert-butyl 4-(4-bromophenyl)piperidine-1-carboxylate;dioxane
CID 175320052
[(Z)-C-[4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]carbonohydrazonoyl]iminoazanium
CID 172954018

Frequently Asked Questions

What is the IUPAC name of bis(2-(4-bromophenyl)-6-azaspiro[2.5]octane);[(2S)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;tert-butyl 2-(4-bromophenyl)-6-azaspiro[2.5]octane-6-carboxylate;(2R)-oxolane-2-carboxylic acid;sulfuric acid?
The IUPAC name of bis(2-(4-bromophenyl)-6-azaspiro[2.5]octane);[(2S)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;tert-butyl 2-(4-bromophenyl)-6-azaspiro[2.5]octane-6-carboxylate;(2R)-oxolane-2-carboxylic acid;sulfuric acid (CID 157182628) is bis(2-(4-bromophenyl)-6-azaspiro[2.5]octane);[(2S)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;tert-butyl 2-(4-bromophenyl)-6-azaspiro[2.5]octane-6-carboxylate;(2R)-oxolane-2-carboxylic acid;sulfuric acid.
What is the SMILES notation for bis(2-(4-bromophenyl)-6-azaspiro[2.5]octane);[(2S)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;tert-butyl 2-(4-bromophenyl)-6-azaspiro[2.5]octane-6-carboxylate;(2R)-oxolane-2-carboxylic acid;sulfuric acid?
The canonical SMILES for bis(2-(4-bromophenyl)-6-azaspiro[2.5]octane);[(2S)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;tert-butyl 2-(4-bromophenyl)-6-azaspiro[2.5]octane-6-carboxylate;(2R)-oxolane-2-carboxylic acid;sulfuric acid is Brc1ccc(C2CC23CCNCC3)cc1.Brc1ccc(C2CC23CCNCC3)cc1.CC(C)(C)OC(=O)N1CCC2(CC1)CC2c1ccc(Br)cc1.O=C(O)[C@H]1CCCO1.O=C([C@H]1CCCO1)N1CCC2(CC1)CC2c1ccc(Br)cc1.O=C([C@H]1CCCO1)N1CCC2(CC1)C[C@@H]2c1ccc(Br)cc1.O=C([C@H]1CCCO1)N1CCC2(CC1)C[C@H]2c1ccc(Br)cc1.O=S(=O)(O)O.O=S(=O)(O)O.
What is the InChIKey of bis(2-(4-bromophenyl)-6-azaspiro[2.5]octane);[(2S)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;tert-butyl 2-(4-bromophenyl)-6-azaspiro[2.5]octane-6-carboxylate;(2R)-oxolane-2-carboxylic acid;sulfuric acid?
The InChIKey is LOAXDAKJTAUDIW-CRUPXYJSSA-N. The full InChI is InChI=1S/3C18H22BrNO2.C18H24BrNO2.2C13H16BrN.C5H8O3.2H2O4S/c3*19-14-5-3-13(4-6-14)15-12-18(15)7-9-20(10-8-18)17(21)16-2-1-11-22-16;1-17(2,3)22-16(21)20-10-8-18(9-11-20)12-15(18)13-4-6-14(19)7-5-13;2*14-11-3-1-10(2-4-11)12-9-13(12)5-7-15-8-6-13;6-5(7)4-2-1-3-8-4;2*1-5(2,3)4/h3*3-6,15-16H,1-2,7-12H2;4-7,15H,8-12H2,1-3H3;2*1-4,12,15H,5-9H2;4H,1-3H2,(H,6,7);2*(H2,1,2,3,4)/t15?,16-;15-,16+;15-,16-;;;;4-;;/m101...1../s1.
What are the key properties of bis(2-(4-bromophenyl)-6-azaspiro[2.5]octane);[(2S)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;tert-butyl 2-(4-bromophenyl)-6-azaspiro[2.5]octane-6-carboxylate;(2R)-oxolane-2-carboxylic acid;sulfuric acid?
bis(2-(4-bromophenyl)-6-azaspiro[2.5]octane);[(2S)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;tert-butyl 2-(4-bromophenyl)-6-azaspiro[2.5]octane-6-carboxylate;(2R)-oxolane-2-carboxylic acid;sulfuric acid has a molecular weight of 2303.79 g/mol, XLogP of 21.68, 10 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(4-bromophenyl)-6-azaspiro[2.5]octane);[(2S)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;tert-butyl 2-(4-bromophenyl)-6-azaspiro[2.5]octane-6-carboxylate;(2R)-oxolane-2-carboxylic acid;sulfuric acid is sourced from PubChem (CID 157182628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).