(2R,3S)-2-methyl-3-methylsulfonylazetidine

C5H11NO2S — CID 175984932

IUPAC(2R,3S)-2-methyl-3-methylsulfonylazetidine
SMILESC[C@H]1NC[C@@H]1S(C)(=O)=O
InChIInChI=1S/C5H11NO2S/c1-4-5(3-6-4)9(2,7)8/h4-6H,3H2,1-2H3/t4-,5+/m1/s1
InChIKeyCBVSYXGSPRVVJP-UHNVWZDZSA-N
MW149.21 g/mol
LogP-0.61
Rot. Bonds1

About (2R,3S)-2-methyl-3-methylsulfonylazetidine

(2R,3S)-2-methyl-3-methylsulfonylazetidine (PubChem CID 175984932) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is (2R,3S)-2-methyl-3-methylsulfonylazetidine.

Molecular Properties

Compound Name(2R,3S)-2-methyl-3-methylsulfonylazetidine
PubChem CID175984932
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC Name(2R,3S)-2-methyl-3-methylsulfonylazetidine
SMILESC[C@H]1NC[C@@H]1S(C)(=O)=O
InChIInChI=1S/C5H11NO2S/c1-4-5(3-6-4)9(2,7)8/h4-6H,3H2,1-2H3/t4-,5+/m1/s1
InChIKeyCBVSYXGSPRVVJP-UHNVWZDZSA-N
XLogP-0.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-1-methyl-2-methylsulfonylcyclopropane
CID 89002807
2-methylsulfonylcyclopropane-1-sulfonyl fluoride
CID 139363190
(2R,3R)-2-methyl-3-(methylsulfonylmethyl)azetidine
CID 155290058
4-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 155817900
4-methylsulfonylpyrrolidine-3-carboxylic acid
CID 105446919
(3R)-2,3-dimethylazetidine
CID 154523082
3-methylsulfonyl-4-(trifluoromethyl)pyrrolidine
CID 122237253
(2R,3R)-3-fluoro-2-methylazetidine
CID 135396219
(2S,3R)-2-methylazetidine-3-carboxylic acid
CID 124580692
2-methylazetidine-3-carboxylic acid
CID 21293290
(2R,3S)-2-methylazetidin-3-ol;hydrochloride
CID 134691791
methyl 4-methylsulfonylpyrrolidine-3-carboxylate
CID 105460317

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-3-methylsulfonylazetidine?
The IUPAC name of (2R,3S)-2-methyl-3-methylsulfonylazetidine (CID 175984932) is (2R,3S)-2-methyl-3-methylsulfonylazetidine.
What is the SMILES notation for (2R,3S)-2-methyl-3-methylsulfonylazetidine?
The canonical SMILES for (2R,3S)-2-methyl-3-methylsulfonylazetidine is C[C@H]1NC[C@@H]1S(C)(=O)=O.
What is the InChIKey of (2R,3S)-2-methyl-3-methylsulfonylazetidine?
The InChIKey is CBVSYXGSPRVVJP-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-4-5(3-6-4)9(2,7)8/h4-6H,3H2,1-2H3/t4-,5+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-3-methylsulfonylazetidine?
(2R,3S)-2-methyl-3-methylsulfonylazetidine has a molecular weight of 149.21 g/mol, XLogP of -0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-3-methylsulfonylazetidine is sourced from PubChem (CID 175984932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).