[(3R)-3-methyl-1,1-dioxothiolan-3-yl]hydrazine

C5H12N2O2S — CID 7058887

IUPAC[(3R)-3-methyl-1,1-dioxothiolan-3-yl]hydrazine
SMILESC[C@@]1(NN)CCS(=O)(=O)C1
InChIInChI=1S/C5H12N2O2S/c1-5(7-6)2-3-10(8,9)4-5/h7H,2-4,6H2,1H3/t5-/m1/s1
InChIKeyGQBCUVUIZMAQCO-RXMQYKEDSA-N
MW164.23 g/mol
LogP-0.97
Rot. Bonds1

About [(3R)-3-methyl-1,1-dioxothiolan-3-yl]hydrazine

[(3R)-3-methyl-1,1-dioxothiolan-3-yl]hydrazine (PubChem CID 7058887) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is [(3R)-3-methyl-1,1-dioxothiolan-3-yl]hydrazine.

Molecular Properties

Compound Name[(3R)-3-methyl-1,1-dioxothiolan-3-yl]hydrazine
PubChem CID7058887
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name[(3R)-3-methyl-1,1-dioxothiolan-3-yl]hydrazine
SMILESC[C@@]1(NN)CCS(=O)(=O)C1
InChIInChI=1S/C5H12N2O2S/c1-5(7-6)2-3-10(8,9)4-5/h7H,2-4,6H2,1H3/t5-/m1/s1
InChIKeyGQBCUVUIZMAQCO-RXMQYKEDSA-N
XLogP-0.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [(3R)-3-methyl-1,1-dioxothiolan-3-yl]hydrazine?
The IUPAC name of [(3R)-3-methyl-1,1-dioxothiolan-3-yl]hydrazine (CID 7058887) is [(3R)-3-methyl-1,1-dioxothiolan-3-yl]hydrazine.
What is the SMILES notation for [(3R)-3-methyl-1,1-dioxothiolan-3-yl]hydrazine?
The canonical SMILES for [(3R)-3-methyl-1,1-dioxothiolan-3-yl]hydrazine is C[C@@]1(NN)CCS(=O)(=O)C1.
What is the InChIKey of [(3R)-3-methyl-1,1-dioxothiolan-3-yl]hydrazine?
The InChIKey is GQBCUVUIZMAQCO-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-5(7-6)2-3-10(8,9)4-5/h7H,2-4,6H2,1H3/t5-/m1/s1.
What are the key properties of [(3R)-3-methyl-1,1-dioxothiolan-3-yl]hydrazine?
[(3R)-3-methyl-1,1-dioxothiolan-3-yl]hydrazine has a molecular weight of 164.23 g/mol, XLogP of -0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methyl-1,1-dioxothiolan-3-yl]hydrazine is sourced from PubChem (CID 7058887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).