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

C5H13ClN2O2S — CID 21206197

IUPAC[(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium chloride
SMILESCC1(N[NH3+])CCS(=O)(=O)C1.[Cl-]
InChIInChI=1S/C5H12N2O2S.ClH/c1-5(7-6)2-3-10(8,9)4-5;/h7H,2-4,6H2,1H3;1H
InChIKeyFJTAKKPBYCADKX-UHFFFAOYSA-N
MW200.69 g/mol
LogP-4.69
Rot. Bonds1

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

[(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium chloride (PubChem CID 21206197) has the molecular formula C5H13ClN2O2S and a molecular weight of 200.69 g/mol. Its IUPAC name is [(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium chloride.

Molecular Properties

Compound Name[(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium chloride
PubChem CID21206197
Molecular FormulaC5H13ClN2O2S
Molecular Weight200.69 g/mol
Exact Mass200.04
IUPAC Name[(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium chloride
SMILESCC1(N[NH3+])CCS(=O)(=O)C1.[Cl-]
InChIInChI=1S/C5H12N2O2S.ClH/c1-5(7-6)2-3-10(8,9)4-5;/h7H,2-4,6H2,1H3;1H
InChIKeyFJTAKKPBYCADKX-UHFFFAOYSA-N
XLogP-4.69
TPSA73.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 5-4.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Hydrazinyl-3-methyltetrahydrothiophene 1,1-dioxide
CID 4737809
3-Hydrazinyl-3-methyl-1lambda6-thiolane-1,1-dione hydrochloride
CID 42917392
(2-Methyl-1-methylsulfonylpropan-2-yl)hydrazine
CID 140354297
[(3-Methyl-1,1-dioxothiolan-3-yl)amino]azanium
CID 5015459
[(3S)-3-methyl-1,1-dioxothiolan-3-yl]hydrazine
CID 7058885
[(3R)-3-methyl-1,1-dioxothiolan-3-yl]hydrazine
CID 7058887
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
[(3S,4R)-4-methyl-1,1-dioxothiolan-3-yl]hydrazine
CID 125473290
[(3S,4S)-4-methyl-1,1-dioxothiolan-3-yl]hydrazine
CID 125473291
[(3R,4S)-4-methyl-1,1-dioxothiolan-3-yl]hydrazine
CID 125473292
[(3R,4R)-4-methyl-1,1-dioxothiolan-3-yl]hydrazine
CID 125473293

Frequently Asked Questions

What is the IUPAC name of [(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium chloride?
The IUPAC name of [(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium chloride (CID 21206197) is [(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium chloride.
What is the SMILES notation for [(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium chloride?
The canonical SMILES for [(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium chloride is CC1(N[NH3+])CCS(=O)(=O)C1.[Cl-].
What is the InChIKey of [(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium chloride?
The InChIKey is FJTAKKPBYCADKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S.ClH/c1-5(7-6)2-3-10(8,9)4-5;/h7H,2-4,6H2,1H3;1H.
What are the key properties of [(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium chloride?
[(3-methyl-1,1-dioxothiolan-3-yl)amino]azanium chloride has a molecular weight of 200.69 g/mol, XLogP of -4.69, 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 chloride is sourced from PubChem (CID 21206197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).