dimethylamino-(1,1-dioxothiolan-3-yl)azanium

C6H15N2O2S+ — CID 3717358

IUPACdimethylamino-(1,1-dioxothiolan-3-yl)azanium
SMILESCN(C)[NH2+]C1CCS(=O)(=O)C1
InChIInChI=1S/C6H14N2O2S/c1-8(2)7-6-3-4-11(9,10)5-6/h6-7H,3-5H2,1-2H3/p+1
InChIKeyCEOZQBCJLYYRPZ-UHFFFAOYSA-O
MW179.26 g/mol
LogP-1.79
Rot. Bonds2

About dimethylamino-(1,1-dioxothiolan-3-yl)azanium

dimethylamino-(1,1-dioxothiolan-3-yl)azanium (PubChem CID 3717358) has the molecular formula C6H15N2O2S+ and a molecular weight of 179.26 g/mol. Its IUPAC name is dimethylamino-(1,1-dioxothiolan-3-yl)azanium.

Molecular Properties

Compound Namedimethylamino-(1,1-dioxothiolan-3-yl)azanium
PubChem CID3717358
Molecular FormulaC6H15N2O2S+
Molecular Weight179.26 g/mol
Exact Mass179.08
IUPAC Namedimethylamino-(1,1-dioxothiolan-3-yl)azanium
SMILESCN(C)[NH2+]C1CCS(=O)(=O)C1
InChIInChI=1S/C6H14N2O2S/c1-8(2)7-6-3-4-11(9,10)5-6/h6-7H,3-5H2,1-2H3/p+1
InChIKeyCEOZQBCJLYYRPZ-UHFFFAOYSA-O
XLogP-1.79
TPSA53.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 5-1.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dimethylamino-(1,1-dioxothiolan-3-yl)azanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethylamino-(1,1-dioxothiolan-3-yl)azanium?
The IUPAC name of dimethylamino-(1,1-dioxothiolan-3-yl)azanium (CID 3717358) is dimethylamino-(1,1-dioxothiolan-3-yl)azanium.
What is the SMILES notation for dimethylamino-(1,1-dioxothiolan-3-yl)azanium?
The canonical SMILES for dimethylamino-(1,1-dioxothiolan-3-yl)azanium is CN(C)[NH2+]C1CCS(=O)(=O)C1.
What is the InChIKey of dimethylamino-(1,1-dioxothiolan-3-yl)azanium?
The InChIKey is CEOZQBCJLYYRPZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H14N2O2S/c1-8(2)7-6-3-4-11(9,10)5-6/h6-7H,3-5H2,1-2H3/p+1.
What are the key properties of dimethylamino-(1,1-dioxothiolan-3-yl)azanium?
dimethylamino-(1,1-dioxothiolan-3-yl)azanium has a molecular weight of 179.26 g/mol, XLogP of -1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-(1,1-dioxothiolan-3-yl)azanium is sourced from PubChem (CID 3717358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).