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

C10H17NOS — CID 163285388

IUPAC(2S,5S)-2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]
SMILES[2H]C([2H])([2H])[C@@]1([2H])O[C@]2(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/t8-,10-/m0/s1/i1D3,8D
InChIKeyWUTYZMFRCNBCHQ-RZZOGFAGSA-N
MW203.34 g/mol
LogP1.56
Rot. Bonds1

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

(2S,5S)-2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane] (PubChem CID 163285388) has the molecular formula C10H17NOS and a molecular weight of 203.34 g/mol. Its IUPAC name is (2S,5S)-2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane].

Molecular Properties

Compound Name(2S,5S)-2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]
PubChem CID163285388
Molecular FormulaC10H17NOS
Molecular Weight203.34 g/mol
Exact Mass203.13
IUPAC Name(2S,5S)-2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]
SMILES[2H]C([2H])([2H])[C@@]1([2H])O[C@]2(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/t8-,10-/m0/s1/i1D3,8D
InChIKeyWUTYZMFRCNBCHQ-RZZOGFAGSA-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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Related Compounds

2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]
CID 71434172
(2R,5R)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane];(2S,5S)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane];dihydrochloride
CID 76965955
2-methyl-2,4-ditritiospiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]
CID 88622566
(2S,3R,5S)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane] 3-oxide
CID 91810606
N-methylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-imine
CID 137095060
(5R)-3-(4-methylthiophen-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 11427027
(2S,4R,4'R)-2-methylspiro[1,3-dioxolane-4,3'-1-azabicyclo[2.2.1]heptane]
CID 10057927
5',6'-dichlorospiro[1-azabicyclo[2.2.2]octane-3,2'-3H-imidazo[2,1-b][1,3]oxazole]
CID 121320364
3'-(2-methylpropyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,2-oxazole]
CID 25000383
3-(1-methylisoquinolin-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 66724664
(5R)-N-(2-methylthieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
CID 137211103
(5R)-3-(2-chloro-1-benzothiophen-6-yl)-2-methylidenespiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]
CID 142084310

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]?
The IUPAC name of (2S,5S)-2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane] (CID 163285388) is (2S,5S)-2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane].
What is the SMILES notation for (2S,5S)-2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]?
The canonical SMILES for (2S,5S)-2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane] is [2H]C([2H])([2H])[C@@]1([2H])O[C@]2(CS1)CN1CCC2CC1.
What is the InChIKey of (2S,5S)-2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]?
The InChIKey is WUTYZMFRCNBCHQ-RZZOGFAGSA-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/t8-,10-/m0/s1/i1D3,8D.
What are the key properties of (2S,5S)-2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]?
(2S,5S)-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 (2S,5S)-2-deuterio-2-(trideuteriomethyl)spiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane] is sourced from PubChem (CID 163285388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).