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

C6H13NO2S — CID 154704276

IUPAC(2R,3S)-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-PHDIDXHHSA-N
MW163.24 g/mol
LogP-0.36
Rot. Bonds2

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

(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidine (PubChem CID 154704276) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is (2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidine.

Molecular Properties

Compound Name(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidine
PubChem CID154704276
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name(2R,3S)-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-PHDIDXHHSA-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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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidine?
The IUPAC name of (2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidine (CID 154704276) is (2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidine.
What is the SMILES notation for (2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidine?
The canonical SMILES for (2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidine is C[C@H]1NC[C@@H]1CS(C)(=O)=O.
What is the InChIKey of (2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidine?
The InChIKey is HNYWLFBFDMEHNC-PHDIDXHHSA-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,3S)-2-methyl-3-(methylsulfonylmethyl)azetidine?
(2R,3S)-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,3S)-2-methyl-3-(methylsulfonylmethyl)azetidine is sourced from PubChem (CID 154704276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).