2-(1-methylsulfonylazetidin-2-yl)acetohydrazide

C6H13N3O3S — CID 84675189

IUPAC2-(1-methylsulfonylazetidin-2-yl)acetohydrazide
SMILESCS(=O)(=O)N1CCC1CC(=O)NN
InChIInChI=1S/C6H13N3O3S/c1-13(11,12)9-3-2-5(9)4-6(10)8-7/h5H,2-4,7H2,1H3,(H,8,10)
InChIKeyPYYIYJPENIHGFE-UHFFFAOYSA-N
MW207.25 g/mol
LogP-1.60
Rot. Bonds3

About 2-(1-methylsulfonylazetidin-2-yl)acetohydrazide

2-(1-methylsulfonylazetidin-2-yl)acetohydrazide (PubChem CID 84675189) has the molecular formula C6H13N3O3S and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-(1-methylsulfonylazetidin-2-yl)acetohydrazide.

Molecular Properties

Compound Name2-(1-methylsulfonylazetidin-2-yl)acetohydrazide
PubChem CID84675189
Molecular FormulaC6H13N3O3S
Molecular Weight207.25 g/mol
Exact Mass207.07
IUPAC Name2-(1-methylsulfonylazetidin-2-yl)acetohydrazide
SMILESCS(=O)(=O)N1CCC1CC(=O)NN
InChIInChI=1S/C6H13N3O3S/c1-13(11,12)9-3-2-5(9)4-6(10)8-7/h5H,2-4,7H2,1H3,(H,8,10)
InChIKeyPYYIYJPENIHGFE-UHFFFAOYSA-N
XLogP-1.60
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-1.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 2-(1-methylsulfonylazetidin-2-yl)acetohydrazide?
The IUPAC name of 2-(1-methylsulfonylazetidin-2-yl)acetohydrazide (CID 84675189) is 2-(1-methylsulfonylazetidin-2-yl)acetohydrazide.
What is the SMILES notation for 2-(1-methylsulfonylazetidin-2-yl)acetohydrazide?
The canonical SMILES for 2-(1-methylsulfonylazetidin-2-yl)acetohydrazide is CS(=O)(=O)N1CCC1CC(=O)NN.
What is the InChIKey of 2-(1-methylsulfonylazetidin-2-yl)acetohydrazide?
The InChIKey is PYYIYJPENIHGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3S/c1-13(11,12)9-3-2-5(9)4-6(10)8-7/h5H,2-4,7H2,1H3,(H,8,10).
What are the key properties of 2-(1-methylsulfonylazetidin-2-yl)acetohydrazide?
2-(1-methylsulfonylazetidin-2-yl)acetohydrazide has a molecular weight of 207.25 g/mol, XLogP of -1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylazetidin-2-yl)acetohydrazide is sourced from PubChem (CID 84675189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).