3-(methylsulfonylmethyl)-1-propan-2-ylazetidine

C8H17NO2S — CID 122414292

IUPAC3-(methylsulfonylmethyl)-1-propan-2-ylazetidine
SMILESCC(C)N1CC(CS(C)(=O)=O)C1
InChIInChI=1S/C8H17NO2S/c1-7(2)9-4-8(5-9)6-12(3,10)11/h7-8H,4-6H2,1-3H3
InChIKeyZGOYQPNYDIOLQE-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.37
Rot. Bonds3

About 3-(methylsulfonylmethyl)-1-propan-2-ylazetidine

3-(methylsulfonylmethyl)-1-propan-2-ylazetidine (PubChem CID 122414292) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 3-(methylsulfonylmethyl)-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-(methylsulfonylmethyl)-1-propan-2-ylazetidine
PubChem CID122414292
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name3-(methylsulfonylmethyl)-1-propan-2-ylazetidine
SMILESCC(C)N1CC(CS(C)(=O)=O)C1
InChIInChI=1S/C8H17NO2S/c1-7(2)9-4-8(5-9)6-12(3,10)11/h7-8H,4-6H2,1-3H3
InChIKeyZGOYQPNYDIOLQE-UHFFFAOYSA-N
XLogP0.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfonylmethyl)-1-propan-2-ylazetidine?
The IUPAC name of 3-(methylsulfonylmethyl)-1-propan-2-ylazetidine (CID 122414292) is 3-(methylsulfonylmethyl)-1-propan-2-ylazetidine.
What is the SMILES notation for 3-(methylsulfonylmethyl)-1-propan-2-ylazetidine?
The canonical SMILES for 3-(methylsulfonylmethyl)-1-propan-2-ylazetidine is CC(C)N1CC(CS(C)(=O)=O)C1.
What is the InChIKey of 3-(methylsulfonylmethyl)-1-propan-2-ylazetidine?
The InChIKey is ZGOYQPNYDIOLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7(2)9-4-8(5-9)6-12(3,10)11/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-(methylsulfonylmethyl)-1-propan-2-ylazetidine?
3-(methylsulfonylmethyl)-1-propan-2-ylazetidine has a molecular weight of 191.30 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfonylmethyl)-1-propan-2-ylazetidine is sourced from PubChem (CID 122414292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).