1-(N-amino-S-methylsulfonimidoyl)azetidine

C4H11N3OS — CID 134485230

IUPAC1-(N-amino-S-methylsulfonimidoyl)azetidine
SMILESCS(=O)(=NN)N1CCC1
InChIInChI=1S/C4H11N3OS/c1-9(8,6-5)7-3-2-4-7/h2-5H2,1H3
InChIKeySTYDWLXPDWSOSU-UHFFFAOYSA-N
MW149.22 g/mol
LogP-0.42
Rot. Bonds1

About 1-(N-amino-S-methylsulfonimidoyl)azetidine

1-(N-amino-S-methylsulfonimidoyl)azetidine (PubChem CID 134485230) has the molecular formula C4H11N3OS and a molecular weight of 149.22 g/mol. Its IUPAC name is 1-(N-amino-S-methylsulfonimidoyl)azetidine.

Molecular Properties

Compound Name1-(N-amino-S-methylsulfonimidoyl)azetidine
PubChem CID134485230
Molecular FormulaC4H11N3OS
Molecular Weight149.22 g/mol
Exact Mass149.06
IUPAC Name1-(N-amino-S-methylsulfonimidoyl)azetidine
SMILESCS(=O)(=NN)N1CCC1
InChIInChI=1S/C4H11N3OS/c1-9(8,6-5)7-3-2-4-7/h2-5H2,1H3
InChIKeySTYDWLXPDWSOSU-UHFFFAOYSA-N
XLogP-0.42
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(N-amino-S-methylsulfonimidoyl)azetidine?
The IUPAC name of 1-(N-amino-S-methylsulfonimidoyl)azetidine (CID 134485230) is 1-(N-amino-S-methylsulfonimidoyl)azetidine.
What is the SMILES notation for 1-(N-amino-S-methylsulfonimidoyl)azetidine?
The canonical SMILES for 1-(N-amino-S-methylsulfonimidoyl)azetidine is CS(=O)(=NN)N1CCC1.
What is the InChIKey of 1-(N-amino-S-methylsulfonimidoyl)azetidine?
The InChIKey is STYDWLXPDWSOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3OS/c1-9(8,6-5)7-3-2-4-7/h2-5H2,1H3.
What are the key properties of 1-(N-amino-S-methylsulfonimidoyl)azetidine?
1-(N-amino-S-methylsulfonimidoyl)azetidine has a molecular weight of 149.22 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-amino-S-methylsulfonimidoyl)azetidine is sourced from PubChem (CID 134485230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).