2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]

C10H17NOS — CID 71434172

IUPAC2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]
SMILES[2H]C([2H])([2H])C1([2H])OC2(CS1)CN1CCC2CC1
InChIInChI=1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/i1D3,8D
InChIKeyWUTYZMFRCNBCHQ-HUYMCZDOSA-N
MW203.34 g/mol
LogP1.56
Rot. Bonds1

About 2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]

2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane] (PubChem CID 71434172) has the molecular formula C10H17NOS and a molecular weight of 203.34 g/mol. Its IUPAC name is 2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane].

Molecular Properties

Compound Name2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]
PubChem CID71434172
Molecular FormulaC10H17NOS
Molecular Weight203.34 g/mol
Exact Mass203.13
IUPAC Name2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]
SMILES[2H]C([2H])([2H])C1([2H])OC2(CS1)CN1CCC2CC1
InChIInChI=1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/i1D3,8D
InChIKeyWUTYZMFRCNBCHQ-HUYMCZDOSA-N
XLogP1.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.34
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]?
The IUPAC name of 2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane] (CID 71434172) is 2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane].
What is the SMILES notation for 2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]?
The canonical SMILES for 2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane] is [2H]C([2H])([2H])C1([2H])OC2(CS1)CN1CCC2CC1.
What is the InChIKey of 2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]?
The InChIKey is WUTYZMFRCNBCHQ-HUYMCZDOSA-N. The full InChI is InChI=1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/i1D3,8D.
What are the key properties of 2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]?
2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane] has a molecular weight of 203.34 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane] is sourced from PubChem (CID 71434172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).