[(3R)-1,1-dioxothiolan-3-yl]-diethyl-methylazanium

C9H20NO2S+ — CID 40590623

IUPAC[(3R)-1,1-dioxothiolan-3-yl]-diethyl-methylazanium
SMILESCC[N+](C)(CC)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C9H20NO2S/c1-4-10(3,5-2)9-6-7-13(11,12)8-9/h9H,4-8H2,1-3H3/q+1/t9-/m1/s1
InChIKeyUWWHYKPUCJQOSU-SECBINFHSA-N
MW206.33 g/mol
LogP0.66
Rot. Bonds3

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

[(3R)-1,1-dioxothiolan-3-yl]-diethyl-methylazanium (PubChem CID 40590623) has the molecular formula C9H20NO2S+ and a molecular weight of 206.33 g/mol. Its IUPAC name is [(3R)-1,1-dioxothiolan-3-yl]-diethyl-methylazanium.

Molecular Properties

Compound Name[(3R)-1,1-dioxothiolan-3-yl]-diethyl-methylazanium
PubChem CID40590623
Molecular FormulaC9H20NO2S+
Molecular Weight206.33 g/mol
Exact Mass206.12
IUPAC Name[(3R)-1,1-dioxothiolan-3-yl]-diethyl-methylazanium
SMILESCC[N+](C)(CC)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C9H20NO2S/c1-4-10(3,5-2)9-6-7-13(11,12)8-9/h9H,4-8H2,1-3H3/q+1/t9-/m1/s1
InChIKeyUWWHYKPUCJQOSU-SECBINFHSA-N
XLogP0.66
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 50.66
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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Related Compounds

(1,1-dioxothiolan-3-yl)-trimethylazanium;methanesulfinate
CID 45148607
3-ethyl-5-methyl-1,4-thiazepane 1,1-dioxide
CID 66233541
3,4-diethylthiane 1,1-dioxide
CID 89014095
(3S)-3-ethoxythiolane 1,1-dioxide
CID 40511911
(3R,4R)-3,4-dimethylthiane 1,1-dioxide
CID 58714657
(3R)-3-methylsulfanylthiolane 1,1-dioxide
CID 51415830
(1,1-dioxothiolan-3-yl)-diethylazanium chloride
CID 44891414
(3R)-3-propoxythiolane 1,1-dioxide
CID 51410713
5-ethyl-3-methylthiepane 1,1-dioxide
CID 137466910
1,1-dioxo-3-propylthian-4-amine
CID 83484055
(4-ethyl-1,1-dioxothian-3-yl)methanamine
CID 84772118
5-methyl-3-propan-2-yl-1,4-thiazepane 1,1-dioxide
CID 79395756

Frequently Asked Questions

What is the IUPAC name of [(3R)-1,1-dioxothiolan-3-yl]-diethyl-methylazanium?
The IUPAC name of [(3R)-1,1-dioxothiolan-3-yl]-diethyl-methylazanium (CID 40590623) is [(3R)-1,1-dioxothiolan-3-yl]-diethyl-methylazanium.
What is the SMILES notation for [(3R)-1,1-dioxothiolan-3-yl]-diethyl-methylazanium?
The canonical SMILES for [(3R)-1,1-dioxothiolan-3-yl]-diethyl-methylazanium is CC[N+](C)(CC)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of [(3R)-1,1-dioxothiolan-3-yl]-diethyl-methylazanium?
The InChIKey is UWWHYKPUCJQOSU-SECBINFHSA-N. The full InChI is InChI=1S/C9H20NO2S/c1-4-10(3,5-2)9-6-7-13(11,12)8-9/h9H,4-8H2,1-3H3/q+1/t9-/m1/s1.
What are the key properties of [(3R)-1,1-dioxothiolan-3-yl]-diethyl-methylazanium?
[(3R)-1,1-dioxothiolan-3-yl]-diethyl-methylazanium has a molecular weight of 206.33 g/mol, XLogP of 0.66, 3 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]-diethyl-methylazanium is sourced from PubChem (CID 40590623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).