[(3R)-1,1-dioxothiolan-3-yl]-trimethylazanium

C7H16NO2S+ — CID 7058936

IUPAC[(3R)-1,1-dioxothiolan-3-yl]-trimethylazanium
SMILESC[N+](C)(C)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C7H16NO2S/c1-8(2,3)7-4-5-11(9,10)6-7/h7H,4-6H2,1-3H3/q+1/t7-/m1/s1
InChIKeyCWTKGXWKNJANED-SSDOTTSWSA-N
MW178.28 g/mol
LogP-0.12
Rot. Bonds1

About [(3R)-1,1-dioxothiolan-3-yl]-trimethylazanium

[(3R)-1,1-dioxothiolan-3-yl]-trimethylazanium (PubChem CID 7058936) has the molecular formula C7H16NO2S+ and a molecular weight of 178.28 g/mol. Its IUPAC name is [(3R)-1,1-dioxothiolan-3-yl]-trimethylazanium.

Molecular Properties

Compound Name[(3R)-1,1-dioxothiolan-3-yl]-trimethylazanium
PubChem CID7058936
Molecular FormulaC7H16NO2S+
Molecular Weight178.28 g/mol
Exact Mass178.09
IUPAC Name[(3R)-1,1-dioxothiolan-3-yl]-trimethylazanium
SMILESC[N+](C)(C)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C7H16NO2S/c1-8(2,3)7-4-5-11(9,10)6-7/h7H,4-6H2,1-3H3/q+1/t7-/m1/s1
InChIKeyCWTKGXWKNJANED-SSDOTTSWSA-N
XLogP-0.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(3R)-1,1-dioxothiolan-3-yl]-trimethylazanium?
The IUPAC name of [(3R)-1,1-dioxothiolan-3-yl]-trimethylazanium (CID 7058936) is [(3R)-1,1-dioxothiolan-3-yl]-trimethylazanium.
What is the SMILES notation for [(3R)-1,1-dioxothiolan-3-yl]-trimethylazanium?
The canonical SMILES for [(3R)-1,1-dioxothiolan-3-yl]-trimethylazanium is C[N+](C)(C)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of [(3R)-1,1-dioxothiolan-3-yl]-trimethylazanium?
The InChIKey is CWTKGXWKNJANED-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H16NO2S/c1-8(2,3)7-4-5-11(9,10)6-7/h7H,4-6H2,1-3H3/q+1/t7-/m1/s1.
What are the key properties of [(3R)-1,1-dioxothiolan-3-yl]-trimethylazanium?
[(3R)-1,1-dioxothiolan-3-yl]-trimethylazanium has a molecular weight of 178.28 g/mol, XLogP of -0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1,1-dioxothiolan-3-yl]-trimethylazanium is sourced from PubChem (CID 7058936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).