3-methylsulfonyl-1-propan-2-ylazetidine

C7H15NO2S — CID 22896260

IUPAC3-methylsulfonyl-1-propan-2-ylazetidine
SMILESCC(C)N1CC(S(C)(=O)=O)C1
InChIInChI=1S/C7H15NO2S/c1-6(2)8-4-7(5-8)11(3,9)10/h6-7H,4-5H2,1-3H3
InChIKeyHVQPRHJLFNSLHX-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.12
Rot. Bonds2

About 3-methylsulfonyl-1-propan-2-ylazetidine

3-methylsulfonyl-1-propan-2-ylazetidine (PubChem CID 22896260) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 3-methylsulfonyl-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-methylsulfonyl-1-propan-2-ylazetidine
PubChem CID22896260
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name3-methylsulfonyl-1-propan-2-ylazetidine
SMILESCC(C)N1CC(S(C)(=O)=O)C1
InChIInChI=1S/C7H15NO2S/c1-6(2)8-4-7(5-8)11(3,9)10/h6-7H,4-5H2,1-3H3
InChIKeyHVQPRHJLFNSLHX-UHFFFAOYSA-N
XLogP0.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-1-propan-2-ylazetidine?
The IUPAC name of 3-methylsulfonyl-1-propan-2-ylazetidine (CID 22896260) is 3-methylsulfonyl-1-propan-2-ylazetidine.
What is the SMILES notation for 3-methylsulfonyl-1-propan-2-ylazetidine?
The canonical SMILES for 3-methylsulfonyl-1-propan-2-ylazetidine is CC(C)N1CC(S(C)(=O)=O)C1.
What is the InChIKey of 3-methylsulfonyl-1-propan-2-ylazetidine?
The InChIKey is HVQPRHJLFNSLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-6(2)8-4-7(5-8)11(3,9)10/h6-7H,4-5H2,1-3H3.
What are the key properties of 3-methylsulfonyl-1-propan-2-ylazetidine?
3-methylsulfonyl-1-propan-2-ylazetidine has a molecular weight of 177.27 g/mol, XLogP of 0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-1-propan-2-ylazetidine is sourced from PubChem (CID 22896260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).