[(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium

C5H13N2O2S+ — CID 5015459

IUPAC[(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium
SMILESCC1(N[NH3+])CCS(=O)(=O)C1
InChIInChI=1S/C5H12N2O2S/c1-5(7-6)2-3-10(8,9)4-5/h7H,2-4,6H2,1H3/p+1
InChIKeyGQBCUVUIZMAQCO-UHFFFAOYSA-O
MW165.24 g/mol
LogP-1.69
Rot. Bonds1

About [(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium

[(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium (PubChem CID 5015459) has the molecular formula C5H13N2O2S+ and a molecular weight of 165.24 g/mol. Its IUPAC name is [(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium.

Molecular Properties

Compound Name[(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium
PubChem CID5015459
Molecular FormulaC5H13N2O2S+
Molecular Weight165.24 g/mol
Exact Mass165.07
IUPAC Name[(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium
SMILESCC1(N[NH3+])CCS(=O)(=O)C1
InChIInChI=1S/C5H12N2O2S/c1-5(7-6)2-3-10(8,9)4-5/h7H,2-4,6H2,1H3/p+1
InChIKeyGQBCUVUIZMAQCO-UHFFFAOYSA-O
XLogP-1.69
TPSA73.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Hydrazinyl-3-methyltetrahydrothiophene 1,1-dioxide
CID 4737809
3-Hydrazinyl-3-methyl-1lambda6-thiolane-1,1-dione hydrochloride
CID 42917392
1-(1,1-Dioxothiolan-3-yl)-2-methylhydrazine
CID 57612898
(2-Methyl-1-methylsulfonylpropan-2-yl)hydrazine
CID 140354297
[(3S)-3-methyl-1,1-dioxothiolan-3-yl]hydrazine
CID 7058885
[(3R)-3-methyl-1,1-dioxothiolan-3-yl]hydrazine
CID 7058887
[(3-Methyl-1,1-dioxothiolan-3-yl)amino]azanium chloride
CID 21206197
1,1-Dimethyl-2-(3-methyl-1,1-dioxothiolan-3-yl)hydrazine
CID 21206245
Dimethylamino-(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride
CID 21206247
1-(1,1-Dioxothiolan-3-yl)-2-ethylhydrazine
CID 83381389
[(3S,4R)-4-methyl-1,1-dioxothiolan-3-yl]hydrazine
CID 125473290
[(3S,4S)-4-methyl-1,1-dioxothiolan-3-yl]hydrazine
CID 125473291

Frequently Asked Questions

What is the IUPAC name of [(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium?
The IUPAC name of [(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium (CID 5015459) is [(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium.
What is the SMILES notation for [(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium?
The canonical SMILES for [(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium is CC1(N[NH3+])CCS(=O)(=O)C1.
What is the InChIKey of [(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium?
The InChIKey is GQBCUVUIZMAQCO-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H12N2O2S/c1-5(7-6)2-3-10(8,9)4-5/h7H,2-4,6H2,1H3/p+1.
What are the key properties of [(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium?
[(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium has a molecular weight of 165.24 g/mol, XLogP of -1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium is sourced from PubChem (CID 5015459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).