3-(aminosulfonimidoyl)azetidine

C3H9N3OS — CID 164907211

IUPAC3-(aminosulfonimidoyl)azetidine
SMILES[H]N=S(N)(=O)C1CNC1
InChIInChI=1S/C3H9N3OS/c4-8(5,7)3-1-6-2-3/h3,6H,1-2H2,(H3,4,5,7)
InChIKeyYCVQLUVTNBJZEM-UHFFFAOYSA-N
MW135.19 g/mol
LogP-1.12
Rot. Bonds1

About 3-(aminosulfonimidoyl)azetidine

3-(aminosulfonimidoyl)azetidine (PubChem CID 164907211) has the molecular formula C3H9N3OS and a molecular weight of 135.19 g/mol. Its IUPAC name is 3-(aminosulfonimidoyl)azetidine.

Molecular Properties

Compound Name3-(aminosulfonimidoyl)azetidine
PubChem CID164907211
Molecular FormulaC3H9N3OS
Molecular Weight135.19 g/mol
Exact Mass135.05
IUPAC Name3-(aminosulfonimidoyl)azetidine
SMILES[H]N=S(N)(=O)C1CNC1
InChIInChI=1S/C3H9N3OS/c4-8(5,7)3-1-6-2-3/h3,6H,1-2H2,(H3,4,5,7)
InChIKeyYCVQLUVTNBJZEM-UHFFFAOYSA-N
XLogP-1.12
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminosulfonimidoyl)azetidine?
The IUPAC name of 3-(aminosulfonimidoyl)azetidine (CID 164907211) is 3-(aminosulfonimidoyl)azetidine.
What is the SMILES notation for 3-(aminosulfonimidoyl)azetidine?
The canonical SMILES for 3-(aminosulfonimidoyl)azetidine is [H]N=S(N)(=O)C1CNC1.
What is the InChIKey of 3-(aminosulfonimidoyl)azetidine?
The InChIKey is YCVQLUVTNBJZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3OS/c4-8(5,7)3-1-6-2-3/h3,6H,1-2H2,(H3,4,5,7).
What are the key properties of 3-(aminosulfonimidoyl)azetidine?
3-(aminosulfonimidoyl)azetidine has a molecular weight of 135.19 g/mol, XLogP of -1.12, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminosulfonimidoyl)azetidine is sourced from PubChem (CID 164907211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).