trimethyl-[[(2R,5R)-2-methyl-3,3-dioxo-1,3-oxathiolan-5-yl]methyl]azanium

C8H18NO3S+ — CID 15921335

IUPACtrimethyl-[[(2R,5R)-2-methyl-3,3-dioxo-1,3-oxathiolan-5-yl]methyl]azanium
SMILESC[C@@H]1O[C@H](C[N+](C)(C)C)CS1(=O)=O
InChIInChI=1S/C8H18NO3S/c1-7-12-8(5-9(2,3)4)6-13(7,10)11/h7-8H,5-6H2,1-4H3/q+1/t7-,8-/m1/s1
InChIKeyVBIQWYKTHHUZCP-HTQZYQBOSA-N
MW208.30 g/mol
LogP-0.15
Rot. Bonds2

About trimethyl-[[(2R,5R)-2-methyl-3,3-dioxo-1,3-oxathiolan-5-yl]methyl]azanium

trimethyl-[[(2R,5R)-2-methyl-3,3-dioxo-1,3-oxathiolan-5-yl]methyl]azanium (PubChem CID 15921335) has the molecular formula C8H18NO3S+ and a molecular weight of 208.30 g/mol. Its IUPAC name is trimethyl-[[(2R,5R)-2-methyl-3,3-dioxo-1,3-oxathiolan-5-yl]methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[[(2R,5R)-2-methyl-3,3-dioxo-1,3-oxathiolan-5-yl]methyl]azanium
PubChem CID15921335
Molecular FormulaC8H18NO3S+
Molecular Weight208.30 g/mol
Exact Mass208.10
IUPAC Nametrimethyl-[[(2R,5R)-2-methyl-3,3-dioxo-1,3-oxathiolan-5-yl]methyl]azanium
SMILESC[C@@H]1O[C@H](C[N+](C)(C)C)CS1(=O)=O
InChIInChI=1S/C8H18NO3S/c1-7-12-8(5-9(2,3)4)6-13(7,10)11/h7-8H,5-6H2,1-4H3/q+1/t7-,8-/m1/s1
InChIKeyVBIQWYKTHHUZCP-HTQZYQBOSA-N
XLogP-0.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(2R,5R)-2-methyl-3,3-dioxo-1,3-oxathiolan-5-yl]methyl]azanium?
The IUPAC name of trimethyl-[[(2R,5R)-2-methyl-3,3-dioxo-1,3-oxathiolan-5-yl]methyl]azanium (CID 15921335) is trimethyl-[[(2R,5R)-2-methyl-3,3-dioxo-1,3-oxathiolan-5-yl]methyl]azanium.
What is the SMILES notation for trimethyl-[[(2R,5R)-2-methyl-3,3-dioxo-1,3-oxathiolan-5-yl]methyl]azanium?
The canonical SMILES for trimethyl-[[(2R,5R)-2-methyl-3,3-dioxo-1,3-oxathiolan-5-yl]methyl]azanium is C[C@@H]1O[C@H](C[N+](C)(C)C)CS1(=O)=O.
What is the InChIKey of trimethyl-[[(2R,5R)-2-methyl-3,3-dioxo-1,3-oxathiolan-5-yl]methyl]azanium?
The InChIKey is VBIQWYKTHHUZCP-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H18NO3S/c1-7-12-8(5-9(2,3)4)6-13(7,10)11/h7-8H,5-6H2,1-4H3/q+1/t7-,8-/m1/s1.
What are the key properties of trimethyl-[[(2R,5R)-2-methyl-3,3-dioxo-1,3-oxathiolan-5-yl]methyl]azanium?
trimethyl-[[(2R,5R)-2-methyl-3,3-dioxo-1,3-oxathiolan-5-yl]methyl]azanium has a molecular weight of 208.30 g/mol, XLogP of -0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(2R,5R)-2-methyl-3,3-dioxo-1,3-oxathiolan-5-yl]methyl]azanium is sourced from PubChem (CID 15921335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).