[(3R,4R)-4-methyl-1,1-dioxothiolan-3-yl]hydrazine

C5H12N2O2S — CID 125473293

IUPAC[(3R,4R)-4-methyl-1,1-dioxothiolan-3-yl]hydrazine
SMILESC[C@H]1CS(=O)(=O)C[C@@H]1NN
InChIInChI=1S/C5H12N2O2S/c1-4-2-10(8,9)3-5(4)7-6/h4-5,7H,2-3,6H2,1H3/t4-,5-/m0/s1
InChIKeySNPFMIZDUNOBOJ-WHFBIAKZSA-N
MW164.23 g/mol
LogP-1.12
Rot. Bonds1

About [(3R,4R)-4-methyl-1,1-dioxothiolan-3-yl]hydrazine

[(3R,4R)-4-methyl-1,1-dioxothiolan-3-yl]hydrazine (PubChem CID 125473293) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is [(3R,4R)-4-methyl-1,1-dioxothiolan-3-yl]hydrazine.

Molecular Properties

Compound Name[(3R,4R)-4-methyl-1,1-dioxothiolan-3-yl]hydrazine
PubChem CID125473293
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name[(3R,4R)-4-methyl-1,1-dioxothiolan-3-yl]hydrazine
SMILESC[C@H]1CS(=O)(=O)C[C@@H]1NN
InChIInChI=1S/C5H12N2O2S/c1-4-2-10(8,9)3-5(4)7-6/h4-5,7H,2-3,6H2,1H3/t4-,5-/m0/s1
InChIKeySNPFMIZDUNOBOJ-WHFBIAKZSA-N
XLogP-1.12
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 ≤ 5-1.12
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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Related Compounds

(tetrahydro-3-thienyl)hydrazine S,S-dioxide
CID 103013
2-(1,1-Dioxidotetrahydrothien-3-yl)-1,1-dimethylhydrazine hydrochloride
CID 11958842
2-(1,1-Dioxidotetrahydrothiophen-3-yl)-1,1-dimethylhydrazine
CID 3152335
3-Hydrazinyl-3-methyltetrahydrothiophene 1,1-dioxide
CID 4737809
3-Hydrazinyl-3-methyl-1lambda6-thiolane-1,1-dione hydrochloride
CID 42917392
[(1,1-Dioxothiolan-3-yl)amino]azanium;chloride
CID 2736526
(1,1-Dioxidotetrahydrothien-3-yl)hydrazine hydrochloride
CID 2770116
2-(1,1-Dioxothiolan-3-yl)-1,1-dimethylhydrazine chloride
CID 53346909
3-Amino-4-methyl-1lambda6-thiolane-1,1-dione
CID 5223471
1-(1,1-Dioxothiolan-3-yl)-2-methylhydrazine
CID 57612898
(3S,4S)-3-Amino-4-methyltetrahydrothiophene 1,1-dioxide
CID 60054565
(3R,4R)-4-methyl-1,1-dioxothiolan-3-amine
CID 90367970

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-methyl-1,1-dioxothiolan-3-yl]hydrazine?
The IUPAC name of [(3R,4R)-4-methyl-1,1-dioxothiolan-3-yl]hydrazine (CID 125473293) is [(3R,4R)-4-methyl-1,1-dioxothiolan-3-yl]hydrazine.
What is the SMILES notation for [(3R,4R)-4-methyl-1,1-dioxothiolan-3-yl]hydrazine?
The canonical SMILES for [(3R,4R)-4-methyl-1,1-dioxothiolan-3-yl]hydrazine is C[C@H]1CS(=O)(=O)C[C@@H]1NN.
What is the InChIKey of [(3R,4R)-4-methyl-1,1-dioxothiolan-3-yl]hydrazine?
The InChIKey is SNPFMIZDUNOBOJ-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-4-2-10(8,9)3-5(4)7-6/h4-5,7H,2-3,6H2,1H3/t4-,5-/m0/s1.
What are the key properties of [(3R,4R)-4-methyl-1,1-dioxothiolan-3-yl]hydrazine?
[(3R,4R)-4-methyl-1,1-dioxothiolan-3-yl]hydrazine has a molecular weight of 164.23 g/mol, XLogP of -1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-methyl-1,1-dioxothiolan-3-yl]hydrazine is sourced from PubChem (CID 125473293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).