(2R,3R)-2-methyl-3-(methylsulfonylmethyl)azetidine

C6H13NO2S — CID 155290058

IUPAC(2R,3R)-2-methyl-3-(methylsulfonylmethyl)azetidine
SMILESC[C@H]1NC[C@H]1CS(C)(=O)=O
InChIInChI=1S/C6H13NO2S/c1-5-6(3-7-5)4-10(2,8)9/h5-7H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyHNYWLFBFDMEHNC-RITPCOANSA-N
MW163.24 g/mol
LogP-0.36
Rot. Bonds2

About (2R,3R)-2-methyl-3-(methylsulfonylmethyl)azetidine

(2R,3R)-2-methyl-3-(methylsulfonylmethyl)azetidine (PubChem CID 155290058) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is (2R,3R)-2-methyl-3-(methylsulfonylmethyl)azetidine.

Molecular Properties

Compound Name(2R,3R)-2-methyl-3-(methylsulfonylmethyl)azetidine
PubChem CID155290058
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name(2R,3R)-2-methyl-3-(methylsulfonylmethyl)azetidine
SMILESC[C@H]1NC[C@H]1CS(C)(=O)=O
InChIInChI=1S/C6H13NO2S/c1-5-6(3-7-5)4-10(2,8)9/h5-7H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyHNYWLFBFDMEHNC-RITPCOANSA-N
XLogP-0.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide
CID 175950904
3-(chloromethyl)-2-methylazetidine
CID 178088265
N-ethyl-1-[(2R,3S)-2-methylazetidin-3-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 175950885
(2R,3S)-2-methyl-3-methylsulfonylazetidine
CID 175984932
(3R)-3-(methylsulfonylmethyl)pyrrolidine
CID 124510073
(2R)-2-(methylsulfonylmethyl)pyrrolidine;hydrochloride
CID 155971117
methyl 2-(2-methylazetidin-3-yl)acetate
CID 171808682
1-(methylsulfonylmethyl)-2-propan-2-ylcyclopropane
CID 122414284
8-(methylsulfonylmethyl)-3-azabicyclo[3.2.1]octane
CID 161386936
(3R)-2,3-dimethylazetidine
CID 154523082
(2R,3S)-2-methylazetidin-3-ol;hydrochloride
CID 134691791
3,3-difluoro-4-(methylsulfonylmethyl)pyrrolidine
CID 105452015

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-3-(methylsulfonylmethyl)azetidine?
The IUPAC name of (2R,3R)-2-methyl-3-(methylsulfonylmethyl)azetidine (CID 155290058) is (2R,3R)-2-methyl-3-(methylsulfonylmethyl)azetidine.
What is the SMILES notation for (2R,3R)-2-methyl-3-(methylsulfonylmethyl)azetidine?
The canonical SMILES for (2R,3R)-2-methyl-3-(methylsulfonylmethyl)azetidine is C[C@H]1NC[C@H]1CS(C)(=O)=O.
What is the InChIKey of (2R,3R)-2-methyl-3-(methylsulfonylmethyl)azetidine?
The InChIKey is HNYWLFBFDMEHNC-RITPCOANSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-5-6(3-7-5)4-10(2,8)9/h5-7H,3-4H2,1-2H3/t5-,6+/m1/s1.
What are the key properties of (2R,3R)-2-methyl-3-(methylsulfonylmethyl)azetidine?
(2R,3R)-2-methyl-3-(methylsulfonylmethyl)azetidine has a molecular weight of 163.24 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-3-(methylsulfonylmethyl)azetidine is sourced from PubChem (CID 155290058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).