2-[(9R)-3,3-dideuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[4-deuterio-3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine

C115H155N5O10S5 — CID 159649467

IUPAC2-[(9R)-3,3-dideuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[4-deuterio-3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
SMILES[2H]C([2H])([2H])Oc1ccsc1CCCC[C@@]1(c2ccccn2)CCOC2(C1)C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H].[2H]C([2H])([2H])Oc1ccsc1CCCC[C@@]1(c2ccccn2)CCOC2(CC([2H])([2H])C([2H])([2H])C2)C1.[2H]C1([2H])C([2H])([2H])C([2H])([2H])C2(C[C@](CCCCc3sccc3OC)(c3ccccn3)CCO2)C1([2H])[2H].[2H]C1([2H])CCC2(C1)C[C@](CCCCc1sccc1OC)(c1ccccn1)CCO2.[2H]c1csc(CCCC[C@@]2(c3ccccn3)CCOC3(CC([2H])([2H])C([2H])([2H])C3)C2)c1OC([2H])([2H])[2H]
InChIInChI=1S/5C23H31NO2S/c5*1-25-19-10-17-27-20(19)8-2-4-11-22(21-9-3-7-15-24-21)14-16-26-23(18-22)12-5-6-13-23/h5*3,7,9-10,15,17H,2,4-6,8,11-14,16,18H2,1H3/t5*22-/m11111/s1/i1D3,5D2,6D2,12D2,13D2;5D2,6D2,12D2,13D2;1D3,5D2,6D2,10D;1D3,5D2,6D2;5D2/t4m;22-,23?
InChIKeyMRJNRNMADKHYFH-AGJSJKIBSA-N
MW1964.08 g/mol
LogP29.63
Rot. Bonds38

About 2-[(9R)-3,3-dideuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[4-deuterio-3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine

2-[(9R)-3,3-dideuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[4-deuterio-3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine (PubChem CID 159649467) has the molecular formula C115H155N5O10S5 and a molecular weight of 1964.08 g/mol. Its IUPAC name is 2-[(9R)-3,3-dideuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[4-deuterio-3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine.

Molecular Properties

Compound Name2-[(9R)-3,3-dideuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[4-deuterio-3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
PubChem CID159649467
Molecular FormulaC115H155N5O10S5
Molecular Weight1964.08 g/mol
Exact Mass1962.26
IUPAC Name2-[(9R)-3,3-dideuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[4-deuterio-3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
SMILES[2H]C([2H])([2H])Oc1ccsc1CCCC[C@@]1(c2ccccn2)CCOC2(C1)C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H].[2H]C([2H])([2H])Oc1ccsc1CCCC[C@@]1(c2ccccn2)CCOC2(CC([2H])([2H])C([2H])([2H])C2)C1.[2H]C1([2H])C([2H])([2H])C([2H])([2H])C2(C[C@](CCCCc3sccc3OC)(c3ccccn3)CCO2)C1([2H])[2H].[2H]C1([2H])CCC2(C1)C[C@](CCCCc1sccc1OC)(c1ccccn1)CCO2.[2H]c1csc(CCCC[C@@]2(c3ccccn3)CCOC3(CC([2H])([2H])C([2H])([2H])C3)C2)c1OC([2H])([2H])[2H]
InChIInChI=1S/5C23H31NO2S/c5*1-25-19-10-17-27-20(19)8-2-4-11-22(21-9-3-7-15-24-21)14-16-26-23(18-22)12-5-6-13-23/h5*3,7,9-10,15,17H,2,4-6,8,11-14,16,18H2,1H3/t5*22-/m11111/s1/i1D3,5D2,6D2,12D2,13D2;5D2,6D2,12D2,13D2;1D3,5D2,6D2,10D;1D3,5D2,6D2;5D2/t4m;22-,23?
InChIKeyMRJNRNMADKHYFH-AGJSJKIBSA-N
XLogP29.63
TPSA156.75 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds38
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001964.08
LogP ≤ 529.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-[(9R)-3,3-dideuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[4-deuterio-3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine with MolForge

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Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(9R)-3,3-dideuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[4-deuterio-3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
The IUPAC name of 2-[(9R)-3,3-dideuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[4-deuterio-3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine (CID 159649467) is 2-[(9R)-3,3-dideuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[4-deuterio-3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine.
What is the SMILES notation for 2-[(9R)-3,3-dideuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[4-deuterio-3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
The canonical SMILES for 2-[(9R)-3,3-dideuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[4-deuterio-3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine is [2H]C([2H])([2H])Oc1ccsc1CCCC[C@@]1(c2ccccn2)CCOC2(C1)C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H].[2H]C([2H])([2H])Oc1ccsc1CCCC[C@@]1(c2ccccn2)CCOC2(CC([2H])([2H])C([2H])([2H])C2)C1.[2H]C1([2H])C([2H])([2H])C([2H])([2H])C2(C[C@](CCCCc3sccc3OC)(c3ccccn3)CCO2)C1([2H])[2H].[2H]C1([2H])CCC2(C1)C[C@](CCCCc1sccc1OC)(c1ccccn1)CCO2.[2H]c1csc(CCCC[C@@]2(c3ccccn3)CCOC3(CC([2H])([2H])C([2H])([2H])C3)C2)c1OC([2H])([2H])[2H].
What is the InChIKey of 2-[(9R)-3,3-dideuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[4-deuterio-3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
The InChIKey is MRJNRNMADKHYFH-AGJSJKIBSA-N. The full InChI is InChI=1S/5C23H31NO2S/c5*1-25-19-10-17-27-20(19)8-2-4-11-22(21-9-3-7-15-24-21)14-16-26-23(18-22)12-5-6-13-23/h5*3,7,9-10,15,17H,2,4-6,8,11-14,16,18H2,1H3/t5*22-/m11111/s1/i1D3,5D2,6D2,12D2,13D2;5D2,6D2,12D2,13D2;1D3,5D2,6D2,10D;1D3,5D2,6D2;5D2/t4m;22-,23?.
What are the key properties of 2-[(9R)-3,3-dideuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[4-deuterio-3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
2-[(9R)-3,3-dideuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[4-deuterio-3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine has a molecular weight of 1964.08 g/mol, XLogP of 29.63, 38 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9R)-3,3-dideuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4-octadeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[4-deuterio-3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3-tetradeuterio-9-[4-[3-(trideuteriomethoxy)thiophen-2-yl]butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine is sourced from PubChem (CID 159649467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).