3-(2-methylpropylsulfonyl)azetidine

C7H15NO2S — CID 71778262

IUPAC3-(2-methylpropylsulfonyl)azetidine
SMILESCC(C)CS(=O)(=O)C1CNC1
InChIInChI=1S/C7H15NO2S/c1-6(2)5-11(9,10)7-3-8-4-7/h6-8H,3-5H2,1-2H3
InChIKeyWMBAMORKIGEUMI-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.03
Rot. Bonds3

About 3-(2-methylpropylsulfonyl)azetidine

3-(2-methylpropylsulfonyl)azetidine (PubChem CID 71778262) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 3-(2-methylpropylsulfonyl)azetidine.

Molecular Properties

Compound Name3-(2-methylpropylsulfonyl)azetidine
PubChem CID71778262
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name3-(2-methylpropylsulfonyl)azetidine
SMILESCC(C)CS(=O)(=O)C1CNC1
InChIInChI=1S/C7H15NO2S/c1-6(2)5-11(9,10)7-3-8-4-7/h6-8H,3-5H2,1-2H3
InChIKeyWMBAMORKIGEUMI-UHFFFAOYSA-N
XLogP0.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropylsulfonylcyclopropane
CID 58333627
3-propylsulfonylazetidine
CID 68955832
1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]ethanone
CID 90594084
1-cyclohexylsulfonyl-3-(2-methylpropylsulfonyl)azetidine
CID 90594323
methyl 2-(azetidin-3-ylsulfonyl)acetate
CID 68602018
2-(2-methylpropylsulfonyl)pyrrolidine
CID 174885308
2,2-dimethyl-1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]propan-1-one
CID 72718937
methyl 2-(azetidin-3-ylsulfonyl)acetate;hydrochloride
CID 72716317
1-cyclopropylsulfonylpropan-2-amine
CID 84651728
N-ethyl-3-(2-methylpropylsulfonyl)cyclohexan-1-amine
CID 64715674
5-[3-(2-methylpropylsulfonyl)azetidin-1-yl]sulfonyl-1H-imidazole
CID 90594378
3-methyl-1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]but-2-en-1-one
CID 90590226

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylsulfonyl)azetidine?
The IUPAC name of 3-(2-methylpropylsulfonyl)azetidine (CID 71778262) is 3-(2-methylpropylsulfonyl)azetidine.
What is the SMILES notation for 3-(2-methylpropylsulfonyl)azetidine?
The canonical SMILES for 3-(2-methylpropylsulfonyl)azetidine is CC(C)CS(=O)(=O)C1CNC1.
What is the InChIKey of 3-(2-methylpropylsulfonyl)azetidine?
The InChIKey is WMBAMORKIGEUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-6(2)5-11(9,10)7-3-8-4-7/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-(2-methylpropylsulfonyl)azetidine?
3-(2-methylpropylsulfonyl)azetidine has a molecular weight of 177.27 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylsulfonyl)azetidine is sourced from PubChem (CID 71778262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).