(2R,3S)-2-ethenyl-3-(methylsulfonylmethyl)azetidine

C7H13NO2S — CID 156550351

IUPAC(2R,3S)-2-ethenyl-3-(methylsulfonylmethyl)azetidine
SMILESC=C[C@H]1NC[C@@H]1CS(C)(=O)=O
InChIInChI=1S/C7H13NO2S/c1-3-7-6(4-8-7)5-11(2,9)10/h3,6-8H,1,4-5H2,2H3/t6-,7-/m1/s1
InChIKeyGOTMHSZJMDHMJD-RNFRBKRXSA-N
MW175.25 g/mol
LogP-0.19
Rot. Bonds3

About (2R,3S)-2-ethenyl-3-(methylsulfonylmethyl)azetidine

(2R,3S)-2-ethenyl-3-(methylsulfonylmethyl)azetidine (PubChem CID 156550351) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is (2R,3S)-2-ethenyl-3-(methylsulfonylmethyl)azetidine.

Molecular Properties

Compound Name(2R,3S)-2-ethenyl-3-(methylsulfonylmethyl)azetidine
PubChem CID156550351
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name(2R,3S)-2-ethenyl-3-(methylsulfonylmethyl)azetidine
SMILESC=C[C@H]1NC[C@@H]1CS(C)(=O)=O
InChIInChI=1S/C7H13NO2S/c1-3-7-6(4-8-7)5-11(2,9)10/h3,6-8H,1,4-5H2,2H3/t6-,7-/m1/s1
InChIKeyGOTMHSZJMDHMJD-RNFRBKRXSA-N
XLogP-0.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,3S)-2-ethenyl-3-(methylsulfonylmethyl)azetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-ethenyl-3-(methylsulfonylmethyl)azetidine?
The IUPAC name of (2R,3S)-2-ethenyl-3-(methylsulfonylmethyl)azetidine (CID 156550351) is (2R,3S)-2-ethenyl-3-(methylsulfonylmethyl)azetidine.
What is the SMILES notation for (2R,3S)-2-ethenyl-3-(methylsulfonylmethyl)azetidine?
The canonical SMILES for (2R,3S)-2-ethenyl-3-(methylsulfonylmethyl)azetidine is C=C[C@H]1NC[C@@H]1CS(C)(=O)=O.
What is the InChIKey of (2R,3S)-2-ethenyl-3-(methylsulfonylmethyl)azetidine?
The InChIKey is GOTMHSZJMDHMJD-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-3-7-6(4-8-7)5-11(2,9)10/h3,6-8H,1,4-5H2,2H3/t6-,7-/m1/s1.
What are the key properties of (2R,3S)-2-ethenyl-3-(methylsulfonylmethyl)azetidine?
(2R,3S)-2-ethenyl-3-(methylsulfonylmethyl)azetidine has a molecular weight of 175.25 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-ethenyl-3-(methylsulfonylmethyl)azetidine is sourced from PubChem (CID 156550351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).