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

C7H17ClN2O2S — CID 21206247

IUPACdimethylamino-(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride
SMILESCN(C)[NH2+]C1(C)CCS(=O)(=O)C1.[Cl-]
InChIInChI=1S/C7H16N2O2S.ClH/c1-7(8-9(2)3)4-5-12(10,11)6-7;/h8H,4-6H2,1-3H3;1H
InChIKeyHBJAVLNTGWQMKY-UHFFFAOYSA-N
MW228.74 g/mol
LogP-4.39
Rot. Bonds2

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

dimethylamino-(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride (PubChem CID 21206247) has the molecular formula C7H17ClN2O2S and a molecular weight of 228.74 g/mol. Its IUPAC name is dimethylamino-(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride.

Molecular Properties

Compound Namedimethylamino-(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride
PubChem CID21206247
Molecular FormulaC7H17ClN2O2S
Molecular Weight228.74 g/mol
Exact Mass228.07
IUPAC Namedimethylamino-(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride
SMILESCN(C)[NH2+]C1(C)CCS(=O)(=O)C1.[Cl-]
InChIInChI=1S/C7H16N2O2S.ClH/c1-7(8-9(2)3)4-5-12(10,11)6-7;/h8H,4-6H2,1-3H3;1H
InChIKeyHBJAVLNTGWQMKY-UHFFFAOYSA-N
XLogP-4.39
TPSA53.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.74
LogP ≤ 5-4.39
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'}

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Frequently Asked Questions

What is the IUPAC name of dimethylamino-(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride?
The IUPAC name of dimethylamino-(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride (CID 21206247) is dimethylamino-(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride.
What is the SMILES notation for dimethylamino-(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride?
The canonical SMILES for dimethylamino-(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride is CN(C)[NH2+]C1(C)CCS(=O)(=O)C1.[Cl-].
What is the InChIKey of dimethylamino-(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride?
The InChIKey is HBJAVLNTGWQMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S.ClH/c1-7(8-9(2)3)4-5-12(10,11)6-7;/h8H,4-6H2,1-3H3;1H.
What are the key properties of dimethylamino-(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride?
dimethylamino-(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride has a molecular weight of 228.74 g/mol, XLogP of -4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-(3-methyl-1,1-dioxothiolan-3-yl)azanium chloride is sourced from PubChem (CID 21206247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).