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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Related Compounds

(3S,5S)-5-methylpiperidine-3-sulfonamide
CID 142359349
(3R,5R)-5-hydroxypiperidine-3-sulfonamide
CID 122701880
3-propylsulfonylazetidine
CID 68955832
azetidine-3-sulfonamide;1-(oxetan-3-yl)azetidine-3-sulfonamide
CID 159346014
6-(sulfamoylamino)-3-azabicyclo[3.1.0]hexane
CID 114959300
2-methylpropane;piperidine-3-sulfonamide
CID 162108453
(5R)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octane-3-sulfonamide
CID 155120899
(1R,5S)-8-(azetidin-3-yl)-8-azabicyclo[3.2.1]octane-3-sulfonamide
CID 137403102
3-(2-methylpropylsulfonyl)azetidine
CID 71778262
ethyl (3R,5S)-5-sulfamoylpiperidine-3-carboxylate
CID 134552702
acetic acid;(3S,5S)-5-methoxypiperidine-3-sulfonamide
CID 162322819
4-(azetidin-3-ylsulfonylmethyl)phenol
CID 115070287

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).